 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Boat_STD_B3LYPDBJ-augccpVDZr.in
 Output=19_methylcyclohexanone_Boat_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/19_methylcyclohexanone_Boat_STD/Gau-5796.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/19_methylcyclohexanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5797.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Boat_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.598849000000      0.704366000000     -0.206529000000
  C                                                 1.101228000000     -0.711991000000      0.043642000000
  C                                                -0.113250000000     -0.805140000000      0.936088000000
  C                                                -1.304166000000      0.036131000000      0.404859000000
  O                                                 1.645599000000     -1.677610000000     -0.439886000000
  H                                                 1.880909000000      0.764552000000     -1.260050000000
  H                                                 2.521567000000      0.833636000000      0.367502000000
  H                                                 0.189114000000     -0.415856000000      1.914189000000
  H                                                -0.387393000000     -1.851222000000      1.064625000000
  H                                                -1.882232000000      0.353357000000      1.276987000000
  C                                                -2.214659000000     -0.802663000000     -0.488897000000
  H                                                -1.657245000000     -1.206857000000     -1.337618000000
  H                                                -3.035477000000     -0.200152000000     -0.884181000000
  H                                                -2.645488000000     -1.642727000000      0.058923000000
  C                                                 0.553737000000      1.766949000000      0.148811000000
  C                                                -0.819914000000      1.303231000000     -0.333141000000
  H                                                 0.822669000000      2.721592000000     -0.306662000000
  H                                                 0.531382000000      1.936615000000      1.229376000000
  H                                                -0.749828000000      1.087440000000     -1.405242000000
  H                                                -1.563723000000      2.095209000000     -0.227759000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1          12          12           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764552   -1.260050
      7          1           0        2.521567    0.833636    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200152   -0.884181
     14          1           0       -2.645488   -1.642727    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822669    2.721592   -0.306662
     18          1           0        0.531382    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563723    2.095209   -0.227759
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.521933   0.000000
     3  C    2.552541   1.509998   0.000000
     4  C    3.041024   2.544815   1.551845   0.000000
     5  O    2.393836   1.209363   2.397511   3.514487   0.000000
     6  H    1.092285   2.118418   3.356132   3.667045   2.586928
     7  H    1.094363   2.123961   3.154542   3.908151   2.779488
     8  H    2.782031   2.102045   1.095284   2.170773   3.042210
     9  H    3.477358   2.134536   1.089020   2.199515   2.535104
    10  H    3.800257   3.399579   2.141874   1.093343   4.417926
    11  C    4.110196   3.359602   2.538997   1.526883   3.958475
    12  H    3.941356   3.124411   2.777595   2.169311   3.454896
    13  H    4.770151   4.270265   3.495540   2.171380   4.928768
    14  H    4.857335   3.860620   2.807704   2.176552   4.320122
    15  C    1.532191   2.540856   2.771339   2.552077   3.661108
    16  C    2.495012   2.809603   2.560380   1.544243   3.869827
    17  H    2.163720   3.462629   3.854635   3.498770   4.477493
    18  H    2.172498   2.957330   2.831747   2.767834   4.134070
    19  H    2.664572   2.960342   3.077161   2.165411   3.783581
    20  H    3.454961   3.880205   3.445350   2.169649   4.957712
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.750469   0.000000
     8  H    3.785674   3.064932   0.000000
     9  H    4.170322   4.019514   1.764765   0.000000
    10  H    4.557068   4.522309   2.299606   2.672042   0.000000
    11  C    4.452473   5.083575   3.420901   2.617596   2.136641
    12  H    4.051050   4.953132   3.822169   2.792580   3.053039
    13  H    5.024220   5.789315   4.274973   3.679161   2.511373
    14  H    5.293671   5.738123   3.603081   2.480705   2.459795
    15  C    2.179696   2.188893   2.830927   3.849104   3.033969
    16  C    2.905818   3.446290   3.003979   3.477269   2.150184
    17  H    2.420501   2.627761   3.895786   4.924968   3.928482
    18  H    3.064669   2.433151   2.473911   3.901154   2.886954
    19  H    2.654452   3.729486   3.762995   3.855819   3.002594
    20  H    3.834288   4.316885   3.737088   4.316054   2.323738
                   11         12         13         14         15
    11  C    0.000000
    12  H    1.092891   0.000000
    13  H    1.092250   1.765951   0.000000
    14  H    1.091525   1.765484   1.767076   0.000000
    15  C    3.830613   3.992673   4.221258   4.676431   0.000000
    16  C    2.530684   2.830307   2.733592   3.487851   1.527818
    17  H    4.656065   4.758735   4.873952   5.586506   1.091386
    18  H    4.242269   4.610961   4.664266   4.926881   1.094032
    19  H    2.560841   2.468153   2.674619   3.631958   2.139181
    20  H    2.981539   3.484849   2.804573   3.901867   2.175591
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.170375   0.000000
    18  H    2.160703   1.749414   0.000000
    19  H    1.095846   2.519936   3.050215   0.000000
    20  H    1.091598   2.468491   2.556924   1.750568   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.83D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764551   -1.260050
      7          1           0        2.521567    0.833635    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200151   -0.884181
     14          1           0       -2.645488   -1.642726    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822670    2.721592   -0.306662
     18          1           0        0.531383    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563722    2.095209   -0.227759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.6603753           2.0000547           1.3560924
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     12     13     14     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     11     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       391.2914351105 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0323137010 Hartrees.
 Nuclear repulsion after empirical dispersion term =      391.2591214095 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  8.70D-06  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:               7.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:46 2021, MaxMem= 10737418240 cpu:               6.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737220520 LenY= 10737125215
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.268620089153    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.268620089153     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-03 BMatP= 3.74D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.219 Goal=   None    Shift=    0.000
 GapD=    0.219 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.71D-02 MaxDP=1.60D+00              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.58D-02    CP:  1.26D+00
 E= -349.271986536928     Delta-E=       -0.003366447774 Rises=F Damp=F
 DIIS: error= 3.22D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.271986536928     IErMin= 2 ErrMin= 3.22D-04
 ErrMax= 3.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-04 BMatP= 3.74D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.22D-03
 Coeff-Com:  0.266D-01 0.973D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.265D-01 0.973D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=5.43D-04 MaxDP=3.05D-02 DE=-3.37D-03 OVMax= 7.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.51D-04    CP:  1.27D+00  1.03D+00
 E= -349.271742897948     Delta-E=        0.000243638979 Rises=F Damp=F
 DIIS: error= 6.37D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -349.271986536928     IErMin= 2 ErrMin= 3.22D-04
 ErrMax= 6.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-04 BMatP= 1.05D-04
 IDIUse=3 WtCom= 2.84D-01 WtEn= 7.16D-01
 Coeff-Com: -0.932D-02 0.675D+00 0.334D+00
 Coeff-En:   0.000D+00 0.750D+00 0.250D+00
 Coeff:     -0.265D-02 0.729D+00 0.274D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=7.21D-03 DE= 2.44D-04 OVMax= 4.17D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.59D-05    CP:  1.27D+00  1.03D+00  8.93D-01
 E= -349.272063802216     Delta-E=       -0.000320904268 Rises=F Damp=F
 DIIS: error= 8.70D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.272063802216     IErMin= 4 ErrMin= 8.70D-05
 ErrMax= 8.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.98D-06 BMatP= 1.05D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.448D-02 0.203D+00-0.151D-01 0.817D+00
 Coeff:     -0.448D-02 0.203D+00-0.151D-01 0.817D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=3.71D-05 MaxDP=1.30D-03 DE=-3.21D-04 OVMax= 7.45D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.56D-05    CP:  1.27D+00  1.03D+00  9.02D-01  1.25D+00
 E= -349.272070984354     Delta-E=       -0.000007182138 Rises=F Damp=F
 DIIS: error= 1.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.272070984354     IErMin= 5 ErrMin= 1.97D-05
 ErrMax= 1.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-07 BMatP= 8.98D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.885D-03 0.105D-01-0.497D-01 0.425D+00 0.616D+00
 Coeff:     -0.885D-03 0.105D-01-0.497D-01 0.425D+00 0.616D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=9.61D-06 MaxDP=4.11D-04 DE=-7.18D-06 OVMax= 1.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.57D-06    CP:  1.27D+00  1.03D+00  9.19D-01  1.26D+00  7.37D-01
 E= -349.272071345258     Delta-E=       -0.000000360904 Rises=F Damp=F
 DIIS: error= 2.22D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.272071345258     IErMin= 6 ErrMin= 2.22D-06
 ErrMax= 2.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-09 BMatP= 3.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.217D-03-0.187D-02-0.177D-01 0.134D+00 0.220D+00 0.666D+00
 Coeff:     -0.217D-03-0.187D-02-0.177D-01 0.134D+00 0.220D+00 0.666D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=1.40D-06 MaxDP=5.35D-05 DE=-3.61D-07 OVMax= 1.58D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.27D+00  1.03D+00  9.21D-01  1.26D+00  7.58D-01
                    CP:  9.99D-01
 E= -349.272071349191     Delta-E=       -0.000000003933 Rises=F Damp=F
 DIIS: error= 9.82D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.272071349191     IErMin= 7 ErrMin= 9.82D-07
 ErrMax= 9.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-10 BMatP= 4.70D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-04-0.186D-02-0.437D-02 0.288D-01 0.537D-01 0.325D+00
 Coeff-Com:  0.598D+00
 Coeff:     -0.252D-04-0.186D-02-0.437D-02 0.288D-01 0.537D-01 0.325D+00
 Coeff:      0.598D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=5.92D-07 MaxDP=5.20D-05 DE=-3.93D-09 OVMax= 6.45D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.34D-07    CP:  1.27D+00  1.03D+00  9.21D-01  1.26D+00  7.59D-01
                    CP:  1.02D+00  7.59D-01
 E= -349.272071350011     Delta-E=       -0.000000000820 Rises=F Damp=F
 DIIS: error= 1.82D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.272071350011     IErMin= 8 ErrMin= 1.82D-07
 ErrMax= 1.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-11 BMatP= 8.61D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.732D-05-0.379D-03 0.827D-04-0.179D-02-0.105D-02 0.473D-01
 Coeff-Com:  0.202D+00 0.754D+00
 Coeff:      0.732D-05-0.379D-03 0.827D-04-0.179D-02-0.105D-02 0.473D-01
 Coeff:      0.202D+00 0.754D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=1.22D-07 MaxDP=5.69D-06 DE=-8.20D-10 OVMax= 1.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.86D-08    CP:  1.27D+00  1.03D+00  9.21D-01  1.26D+00  7.60D-01
                    CP:  1.03D+00  7.96D-01  9.37D-01
 E= -349.272071350040     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 3.00D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.272071350040     IErMin= 9 ErrMin= 3.00D-08
 ErrMax= 3.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-12 BMatP= 3.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-05-0.836D-04 0.156D-03-0.147D-02-0.192D-02 0.683D-02
 Coeff-Com:  0.522D-01 0.260D+00 0.685D+00
 Coeff:      0.361D-05-0.836D-04 0.156D-03-0.147D-02-0.192D-02 0.683D-02
 Coeff:      0.522D-01 0.260D+00 0.685D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=1.93D-08 MaxDP=8.83D-07 DE=-2.96D-11 OVMax= 3.05D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.56D-08    CP:  1.27D+00  1.03D+00  9.22D-01  1.26D+00  7.60D-01
                    CP:  1.03D+00  8.01D-01  9.50D-01  9.44D-01
 E= -349.272071350034     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.13D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -349.272071350040     IErMin=10 ErrMin= 1.13D-08
 ErrMax= 1.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-13 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-05-0.138D-04 0.601D-04-0.512D-03-0.747D-03 0.266D-03
 Coeff-Com:  0.102D-01 0.654D-01 0.309D+00 0.616D+00
 Coeff:      0.111D-05-0.138D-04 0.601D-04-0.512D-03-0.747D-03 0.266D-03
 Coeff:      0.102D-01 0.654D-01 0.309D+00 0.616D+00
 Gap=     0.215 Goal=   None    Shift=    0.000
 RMSDP=5.37D-09 MaxDP=3.10D-07 DE= 6.14D-12 OVMax= 9.28D-08

 SCF Done:  E(RB3LYP) =  -349.272071350     A.U. after   10 cycles
            NFock= 10  Conv=0.54D-08     -V/T= 2.0063
 KE= 3.471009521713D+02 PE=-1.593944376659D+03 EE= 5.063122317284D+02
 Leave Link  502 at Thu Jul  8 18:10:50 2021, MaxMem= 10737418240 cpu:            1016.9 elap:              63.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.59827753D+02

 Leave Link  801 at Thu Jul  8 18:10:50 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 2.87D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 1.89D-01 5.76D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 3.28D-02 2.39D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 2.16D-03 9.18D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 5.09D-05 1.33D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 9.85D-07 1.49D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 1.81D-08 1.88D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 2.24D-10 2.85D-06.
      9 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 1.38D-12 1.92D-07.
      6 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 1.16D-14 1.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   103 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.942322D+02
      2  0.631868D+00  0.927187D+02
      3 -0.214402D+01  0.569031D+00  0.770955D+02
 Isotropic polarizability for W=    0.093368       88.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.428325D+02 -0.206825D+02 -0.221952D+02
      2   0.256273D+02  0.280806D+02  0.367336D+01
      3   0.172052D+02 -0.739812D+01  0.185218D+02
      4   0.724400D+01 -0.606980D+01  0.143567D+02
      5  -0.193321D+02  0.990630D+01 -0.265532D+02
      6   0.105551D+02 -0.409343D+01  0.163629D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.458768D+01  0.242574D+01 -0.769657D+01
      2  -0.153252D+02  0.509619D+01 -0.143703D+02
      3   0.157173D+02  0.822596D+01  0.184443D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.445041D+01 -0.776679D+01 -0.237610D+02
      2  -0.286309D+01  0.380158D+01 -0.437584D+02
      3   0.279265D+02  0.316971D+02  0.648825D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.235771D+01  0.189613D+01 -0.148449D+01
      2   0.189613D+01 -0.421228D+00  0.284058D-01
      3  -0.148449D+01  0.284058D-01  0.416462D+00
 OR G Eigenvalues:    -1.6624     0.1795     3.8358  Iso=    -0.7843
 Eigenvectors:
   (1)  -0.504679   0.779505  -0.371041
   (2)   0.145803   0.500577   0.853325
   (3)   0.850906   0.376556  -0.366285
 w=    0.093368 a.u., Optical Rotation Beta=     -0.7843 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =     -394.11 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 7.20D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.73D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 4.30D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 1.28D-02 2.15D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 4.92D-04 2.99D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 4.75D-06 4.60D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 3.82D-08 2.24D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 1.80D-10 1.24D-06.
     28 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 2.89D-13 4.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.33D-15
 Solved reduced A of dimension   208 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 3.48D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 3.48D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.40D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.942322D+02  0.631868D+00 -0.214402D+01
      2   0.631868D+00  0.927187D+02  0.569031D+00
      3  -0.214402D+01  0.569031D+00  0.770955D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.458768D+01  0.242574D+01 -0.769657D+01
      2  -0.153252D+02  0.509619D+01 -0.143703D+02
      3   0.157173D+02  0.822596D+01  0.184443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.428325D+02 -0.206825D+02 -0.221952D+02
      2   0.256273D+02  0.280806D+02  0.367336D+01
      3   0.172052D+02 -0.739812D+01  0.185218D+02
      4   0.724400D+01 -0.606980D+01  0.143567D+02
      5  -0.193321D+02  0.990630D+01 -0.265532D+02
      6   0.105551D+02 -0.409343D+01  0.163629D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.547675D+01 -0.234685D+01 -0.167188D+01 -0.702321D+00  0.294018D+01
      2  -0.234685D+01  0.244982D+00 -0.242730D+00  0.294018D+01  0.292000D+01
      3  -0.167188D+01 -0.242730D+00 -0.274210D+01 -0.636892D+00 -0.204543D+01
                 6             7             8             9            10 
      1  -0.636892D+00 -0.251422D+01 -0.406698D+00 -0.376518D+01  0.169389D+01
      2  -0.204543D+01 -0.406698D+00 -0.128028D+01 -0.712323D+00  0.313654D+01
      3  -0.138922D-01 -0.376518D+01 -0.712323D+00  0.513796D+01 -0.331388D+00
                11            12            13            14            15 
      1   0.313654D+01 -0.331388D+00  0.129975D+01 -0.501392D+01 -0.743083D+00
      2  -0.419678D+01 -0.156183D+01 -0.501392D+01 -0.131576D+01  0.396401D+01
      3  -0.156183D+01  0.200322D+01 -0.743083D+00  0.396401D+01  0.636674D+00
                16            17            18            19            20 
      1   0.744621D+00 -0.210386D+01  0.104709D+01  0.173527D+01 -0.298921D+01
      2  -0.210386D+01  0.330085D+01  0.173090D+01 -0.298921D+01  0.361936D+01
      3   0.104709D+01  0.173090D+01 -0.874868D+00  0.173616D+01 -0.728276D+00
                21            22            23            24            25 
      1   0.173616D+01 -0.359555D+01  0.343113D+01 -0.128905D+01  0.855169D+00
      2  -0.728276D+00  0.343113D+01  0.616253D+01 -0.244014D+01 -0.637221D+00
      3  -0.229028D+01 -0.128905D+01 -0.244014D+01 -0.203169D+01 -0.176351D+01
                26            27            28            29            30 
      1  -0.637221D+00 -0.176351D+01 -0.261206D+01  0.281739D+01 -0.144374D+01
      2  -0.111727D+01 -0.198200D+01  0.281739D+01 -0.200832D+01  0.334634D+01
      3  -0.198200D+01 -0.346959D+01 -0.144374D+01  0.334634D+01  0.285848D+01
                31            32            33            34            35 
      1   0.438086D+01 -0.215401D+01  0.302132D+01 -0.166053D+01  0.417186D+01
      2  -0.215401D+01 -0.271348D+01  0.998756D+00  0.417186D+01  0.201814D+01
      3   0.302132D+01  0.998756D+00 -0.647839D+00  0.320928D+01 -0.118862D+01
                36            37            38            39            40 
      1   0.320928D+01  0.477420D+01 -0.456907D+01 -0.141989D+01 -0.395451D+01
      2  -0.118862D+01 -0.456907D+01  0.393346D+01  0.845103D+00  0.543505D+01
      3  -0.445766D+01 -0.141989D+01  0.845103D+00  0.252158D+00  0.113287D+01
                41            42            43            44            45 
      1   0.543505D+01  0.113287D+01 -0.196838D+01  0.163576D+01  0.184051D+01
      2  -0.967541D+01 -0.335929D+01  0.163576D+01 -0.316662D+01 -0.386380D+01
      3  -0.335929D+01 -0.176683D+01  0.184051D+01 -0.386380D+01 -0.250948D+01
                46            47            48            49            50 
      1   0.218145D+01  0.762987D+00 -0.148147D+01  0.131128D+00  0.177549D+00
      2   0.762987D+00  0.598461D+00 -0.233256D+00  0.177549D+00  0.121449D+00
      3  -0.148147D+01 -0.233256D+00  0.144220D+01  0.193190D+00 -0.802920D+00
                51            52            53            54            55 
      1   0.193190D+00 -0.267378D+01 -0.246334D+00  0.318148D+01  0.910548D+01
      2  -0.802920D+00 -0.246334D+00 -0.172960D+01  0.109050D+01  0.205784D+01
      3   0.292960D+00  0.318148D+01  0.109050D+01 -0.724219D+01  0.233355D+01
                56            57            58            59            60 
      1   0.205784D+01  0.233355D+01  0.606142D+00  0.941127D+00  0.335299D+00
      2   0.179737D+01  0.405491D+00  0.941127D+00  0.807861D+00  0.814294D+00
      3   0.405491D+00  0.176482D+01  0.335299D+00  0.814294D+00  0.293461D+00
                61            62            63            64            65 
      1   0.409925D+01  0.684076D+00  0.248566D+01  0.434253D+00  0.618653D+00
      2   0.684076D+00  0.149809D+01  0.849913D+00  0.618653D+00 -0.101934D-01
      3   0.248566D+01  0.849913D+00  0.143646D+01  0.102411D+01  0.149142D+00
                66            67            68            69            70 
      1   0.102411D+01  0.168133D+01 -0.239070D+00  0.174769D+00  0.142767D+01
      2   0.149142D+00 -0.239070D+00  0.704292D+00  0.132267D+01  0.232572D+00
      3   0.198252D+01  0.174769D+00  0.132267D+01  0.190608D+01  0.110717D+01
                71            72            73            74            75 
      1   0.232572D+00  0.110717D+01 -0.106731D+01 -0.105493D+01  0.734021D-01
      2   0.120319D+01  0.856632D+00 -0.105493D+01 -0.140847D+01  0.457559D+00
      3   0.856632D+00  0.847648D+01  0.734021D-01  0.457559D+00 -0.204336D+00
                76            77            78            79            80 
      1  -0.173296D+01 -0.158533D+01  0.436700D+00 -0.325586D-01  0.178839D+00
      2  -0.158533D+01 -0.853895D+01  0.251475D+01  0.178839D+00  0.722065D+00
      3   0.436700D+00  0.251475D+01 -0.172232D+01 -0.110406D+00 -0.112990D+01
                81            82            83            84            85 
      1  -0.110406D+00 -0.364159D+01  0.446082D+00  0.251224D+01  0.841059D+00
      2  -0.112990D+01  0.446082D+00 -0.825818D+00 -0.108058D+01 -0.811429D+00
      3   0.142466D+01  0.251224D+01 -0.108058D+01 -0.313004D+01 -0.112565D+01
                86            87            88            89            90 
      1  -0.811429D+00 -0.112565D+01  0.327321D+01 -0.107543D+01 -0.313731D+01
      2   0.140789D+01  0.122361D+01 -0.107543D+01  0.124864D+01  0.127817D+01
      3   0.122361D+01  0.164686D+01 -0.313731D+01  0.127817D+01  0.596920D+01
                91            92            93            94            95 
      1   0.343567D+01 -0.200186D+01  0.134160D+01 -0.358295D+01  0.293088D+01
      2  -0.200186D+01  0.186286D+01 -0.400843D+01  0.293088D+01  0.314263D+01
      3   0.134160D+01 -0.400843D+01 -0.165955D+01 -0.474251D+01 -0.133917D+01
                96            97            98            99           100 
      1  -0.474251D+01  0.409197D+00 -0.490287D+01 -0.101129D+01  0.137689D+01
      2  -0.133917D+01 -0.490287D+01 -0.236333D+01  0.175963D+01 -0.158614D+00
      3   0.928734D+00 -0.101129D+01  0.175963D+01  0.283063D+01 -0.101785D+01
               101           102           103           104           105 
      1  -0.158614D+00 -0.101785D+01 -0.459413D+00 -0.403280D-01  0.632688D+00
      2   0.100629D+01  0.119298D+01 -0.403280D-01 -0.193046D+01 -0.129905D+01
      3   0.119298D+01  0.223888D+01  0.632688D+00 -0.129905D+01 -0.167273D+01
               106           107           108           109           110 
      1  -0.165456D+01  0.491842D+00  0.601254D+00 -0.751571D+01  0.166315D+01
      2   0.491842D+00 -0.161732D+01 -0.201924D+01  0.166315D+01 -0.175504D+01
      3   0.601254D+00 -0.201924D+01 -0.510271D+01 -0.252927D+01  0.931410D+00
               111           112           113           114           115 
      1  -0.252927D+01  0.415285D+01 -0.189788D+01  0.178372D+01 -0.236936D+01
      2   0.931410D+00 -0.189788D+01  0.163251D+01 -0.686652D+00  0.974725D+00
      3  -0.154689D+01  0.178372D+01 -0.686652D+00  0.120994D+01 -0.197821D+01
               116           117           118           119           120 
      1   0.974725D+00 -0.197821D+01 -0.326693D+01 -0.210513D+01  0.669450D+00
      2  -0.501087D+00  0.421655D+00 -0.210513D+01 -0.240582D+01  0.979439D+00
      3   0.421655D+00 -0.191381D+01  0.669450D+00  0.979439D+00 -0.675639D+00
               121           122           123           124           125 
      1  -0.280660D+01 -0.351946D+01  0.107165D+01  0.209249D+01  0.194545D+01
      2  -0.351946D+01 -0.606575D+01  0.149776D+01  0.194545D+01  0.281365D+01
      3   0.107165D+01  0.149776D+01 -0.155965D+01 -0.907511D+00 -0.168805D+01
               126           127           128           129           130 
      1  -0.907511D+00  0.229292D+01  0.209829D+01  0.173610D+01  0.264823D+01
      2  -0.168805D+01  0.209829D+01 -0.269460D+01  0.592203D+00 -0.339878D+01
      3   0.147905D+01  0.173610D+01  0.592203D+00  0.427228D-01  0.749896D+00
               131           132           133           134           135 
      1  -0.339878D+01  0.749896D+00  0.181577D+01  0.985222D+00 -0.476829D-01
      2  -0.523102D+01  0.208986D+01  0.985222D+00  0.371605D+01 -0.284987D+01
      3   0.208986D+01 -0.150415D+01 -0.476829D-01 -0.284987D+01 -0.683134D+01
               136           137           138           139           140 
      1   0.384348D+00 -0.415738D+01 -0.688977D+00 -0.409345D+01  0.432352D+01
      2  -0.415738D+01  0.393265D+01 -0.125037D+01  0.432352D+01  0.396167D+00
      3  -0.688977D+00 -0.125037D+01 -0.155042D+00 -0.104875D+01 -0.999661D+00
               141           142           143           144           145 
      1  -0.104875D+01 -0.131102D+01 -0.784614D+00 -0.195696D+00  0.113323D+01
      2  -0.999661D+00 -0.784614D+00 -0.263055D+01  0.151247D+01  0.163576D+01
      3   0.201707D+01 -0.195696D+00  0.151247D+01  0.691328D+01 -0.698327D+00
               146           147           148           149           150 
      1   0.163576D+01 -0.698327D+00  0.167787D+01  0.240941D+01 -0.370530D+00
      2   0.218671D+01 -0.386589D+00  0.240941D+01  0.109140D+02 -0.180918D+01
      3  -0.386589D+00  0.224337D+00 -0.370530D+00 -0.180918D+01  0.129745D+01
               151           152           153           154           155 
      1  -0.111081D+01 -0.802997D+00  0.487830D+00 -0.243836D+00  0.126320D+00
      2  -0.802997D+00 -0.362483D+01  0.207267D+01  0.126320D+00  0.240378D+00
      3   0.487830D+00  0.207267D+01 -0.547695D+00  0.792269D+00 -0.901188D-01
               156           157           158           159           160 
      1   0.792269D+00  0.514840D-01  0.403897D+00  0.193016D-01  0.158972D+01
      2  -0.901188D-01  0.403897D+00  0.184051D+01  0.134887D+01  0.114977D+00
      3  -0.955648D-01  0.193016D-01  0.134887D+01  0.127957D+01  0.472022D+00
               161           162           163           164           165 
      1   0.114977D+00  0.472022D+00  0.362394D+00  0.457254D+00 -0.750175D+00
      2   0.213608D+01  0.282536D+01  0.457254D+00 -0.194287D+00  0.174500D+00
      3   0.282536D+01  0.782122D+01 -0.750175D+00  0.174500D+00  0.399066D+00
               166           167           168           169           170 
      1  -0.173445D+00 -0.553768D+00  0.203327D-01 -0.171669D+01 -0.302815D+00
      2  -0.553768D+00 -0.404600D+00 -0.818022D+00 -0.302815D+00 -0.138830D+01
      3   0.203327D-01 -0.818022D+00 -0.115156D+01 -0.731450D+00  0.282318D+00
               171           172           173           174           175 
      1  -0.731450D+00 -0.508581D+01  0.356278D+01 -0.185904D+00  0.363051D+01
      2   0.282318D+00  0.356278D+01 -0.392318D+01  0.508006D+00 -0.377876D+01
      3  -0.799796D+01 -0.185904D+00  0.508006D+00 -0.708964D+00  0.384722D+00
               176           177           178           179           180 
      1  -0.377876D+01  0.384722D+00  0.704805D+00 -0.152489D+00 -0.784061D+00
      2   0.582556D+01 -0.175056D+00 -0.152489D+00  0.762446D+00  0.753571D+00
      3  -0.175056D+00  0.561853D+00 -0.784061D+00  0.753571D+00 -0.541655D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.201080D+01  0.450451D+00  0.667524D+00 -0.116399D+01 -0.599294D+00
      2  -0.674869D+01 -0.114022D+01 -0.707405D+01  0.807848D+00 -0.302764D+01
      3   0.499264D+01 -0.971964D+01 -0.400813D+01 -0.541660D+01 -0.342969D+01
                 6             7             8             9            10 
      1  -0.330261D+01  0.145092D+01  0.532983D+01 -0.372300D+01  0.406791D+01
      2   0.185118D+01 -0.136395D+02 -0.345768D+01  0.973411D+01 -0.162916D+02
      3   0.576372D+01 -0.555379D+01  0.250940D+01 -0.245354D-01 -0.685306D+01
                11            12            13            14            15 
      1   0.419185D+01 -0.227366D+01  0.415588D+01 -0.651377D+00  0.684286D+01
      2  -0.795284D+01  0.529706D+01 -0.532184D+01  0.810095D+01 -0.249091D+01
      3  -0.614568D+01  0.411837D+01  0.148204D+01  0.530885D+01 -0.907909D+01
                16            17            18            19            20 
      1   0.804755D-01  0.148327D+02  0.748573D+00 -0.462787D+01  0.261865D+01
      2  -0.131421D+02 -0.461880D+01  0.967826D+01 -0.464580D+01  0.701625D+01
      3  -0.173610D+01 -0.104454D+02 -0.694556D-01  0.255511D+01  0.156053D+01
                21            22            23            24            25 
      1  -0.430897D+01  0.285407D+01  0.443907D+01 -0.850622D+01 -0.476334D+01
      2   0.211168D+01  0.815293D+01 -0.546643D+01  0.479046D+01 -0.962638D+01
      3  -0.279519D+01  0.683023D+01 -0.735732D+01  0.291308D+01 -0.286315D+01
                26            27            28            29            30 
      1  -0.316412D+01 -0.675301D+01  0.376529D+01 -0.115390D+01 -0.142351D+00
      2   0.535007D+01  0.152970D+01  0.966106D+01 -0.899813D+01  0.616598D+00
      3   0.329774D+01  0.216345D+01  0.498962D+01 -0.715172D+01  0.752389D+01
                31            32            33            34            35 
      1  -0.207519D+01  0.166613D+01 -0.129086D+01  0.189428D+01  0.594230D+01
      2  -0.137069D+02 -0.136363D+01  0.192944D+01 -0.102350D+01 -0.135191D+01
      3  -0.585069D+00 -0.496835D+01  0.228111D+01  0.998972D+01  0.236424D+01
                36            37            38            39            40 
      1   0.854109D+00 -0.322409D+01 -0.197054D+01  0.390483D+01  0.140937D+01
      2   0.300836D+01  0.126816D+01  0.418821D+01  0.406456D+01  0.423137D+01
      3  -0.343641D+01 -0.211038D+00 -0.313854D+01 -0.751281D+00  0.695157D+01
                41            42            43            44            45 
      1  -0.651691D+00 -0.985081D+01  0.166996D+01 -0.289045D+01 -0.426335D+01
      2  -0.780792D+01 -0.457550D+01  0.418924D+01 -0.203294D+01 -0.826854D+01
      3   0.110916D+02  0.314855D+01  0.443343D+01  0.621633D+01  0.271429D+01
                46            47            48            49            50 
      1   0.120828D+01  0.377679D+00 -0.113395D+01  0.569378D+00 -0.823362D+00
      2  -0.259386D+01 -0.114111D+01  0.430434D+01  0.134893D+00 -0.650628D+00
      3  -0.239328D+00 -0.165283D+01 -0.553984D+00  0.195604D+01  0.106393D+01
                51            52            53            54            55 
      1  -0.114323D+01 -0.275519D+01  0.159594D+01  0.565846D+01 -0.334525D+01
      2   0.798950D-02  0.501053D+01  0.383801D+01 -0.164420D+02  0.102771D+02
      3   0.687079D+00 -0.507146D+00  0.471421D+01 -0.581301D+00  0.594549D+01
                56            57            58            59            60 
      1  -0.108414D+01 -0.161882D+01  0.461560D+00  0.899199D+00 -0.109114D+01
      2   0.286272D+01  0.644778D+01  0.165706D+00  0.110051D+01  0.543509D+00
      3  -0.303604D+01  0.141398D+01  0.643534D+00 -0.121811D+01 -0.178339D+01
                61            62            63            64            65 
      1  -0.283257D+01 -0.883586D-01 -0.120023D+01  0.125675D+01  0.130886D+01
      2   0.688407D+01  0.331338D+01  0.412652D+01  0.582924D+00 -0.135959D+01
      3   0.380498D+01 -0.317471D+01  0.796885D+00  0.318444D-01 -0.243708D+01
                66            67            68            69            70 
      1   0.342766D+01 -0.500895D+00  0.355882D+01  0.365398D+01  0.195914D+01
      2  -0.270298D+01 -0.156960D+01 -0.136063D+00 -0.152527D+01 -0.320842D+01
      3  -0.152094D+01 -0.842098D-01  0.105062D+00 -0.805251D+00 -0.875006D+00
                71            72            73            74            75 
      1   0.531241D+01  0.991348D+01 -0.117241D+01 -0.223119D+01 -0.141982D+00
      2  -0.705340D+00 -0.456105D+01  0.842133D+00  0.117648D+01  0.148347D+01
      3  -0.697125D+00 -0.250455D+01  0.112962D+01 -0.921696D+00  0.966609D+00
                76            77            78            79            80 
      1  -0.168676D+01 -0.774149D+01 -0.173442D+01  0.797348D+00  0.126386D+01
      2   0.325185D+01  0.143595D+01 -0.661053D-01 -0.130239D+01 -0.288959D+00
      3   0.588748D+01  0.105476D+01 -0.297328D+00  0.444079D+00  0.494098D+00
                81            82            83            84            85 
      1  -0.683700D-02 -0.225291D+00 -0.150604D+01  0.840241D-01  0.843219D-01
      2  -0.294401D-01  0.505109D-01  0.117108D+01  0.397475D+01 -0.139634D+00
      3   0.105388D+00  0.339072D+00 -0.341986D+01 -0.202740D+01 -0.188300D+00
                86            87            88            89            90 
      1   0.102806D+01 -0.961459D+00  0.320871D+00  0.251212D+01 -0.562050D+00
      2  -0.110468D+00 -0.818389D+00 -0.306199D+01 -0.104000D+00 -0.578918D+01
      3   0.353644D+01  0.206344D+01 -0.255692D+01  0.347409D+01  0.253402D+01
                91            92            93            94            95 
      1   0.180546D+01 -0.650420D+01  0.197081D+01 -0.884781D+01 -0.467568D+01
      2  -0.215288D+01  0.116703D+02  0.826131D+01  0.138078D+02  0.533834D+01
      3  -0.985212D+01  0.431740D+01 -0.132110D+02  0.135036D+02  0.577017D+01
                96            97            98            99           100 
      1   0.359327D+00  0.329892D+01  0.480320D+01  0.169955D+01 -0.785462D+00
      2  -0.640597D+01  0.361589D+00 -0.742136D+01 -0.836559D+01  0.560306D+01
      3   0.132012D+01 -0.139665D+02 -0.960361D+00  0.507175D+01 -0.306284D+01
               101           102           103           104           105 
      1  -0.473893D+00  0.176873D+01  0.614551D+00  0.492934D+00 -0.226950D+01
      2  -0.304098D+01 -0.567788D+01 -0.299447D+01  0.343464D+01  0.495720D+01
      3   0.189807D+01  0.405971D+01  0.217256D+01 -0.432097D+01 -0.408236D+01
               106           107           108           109           110 
      1   0.642957D+00  0.125377D+01 -0.451670D+01 -0.372854D+01  0.304592D+01
      2  -0.578326D+01  0.544666D+01  0.131907D+02  0.203560D+01 -0.132615D+01
      3   0.406938D+01 -0.434262D+01 -0.631712D+01  0.971997D+01 -0.870523D+01
               111           112           113           114           115 
      1  -0.153502D+01  0.240752D+01 -0.227156D+01  0.185747D+00 -0.247857D+01
      2   0.529098D+01 -0.281720D+01  0.880506D+00 -0.313961D+01  0.171890D+01
      3   0.483258D+01 -0.640318D+01  0.707686D+01 -0.277297D+01  0.483311D+01
               116           117           118           119           120 
      1   0.208684D+01 -0.153368D+01  0.193684D+01  0.262427D+01 -0.214626D+01
      2  -0.495631D+00  0.492412D+01 -0.236906D+01 -0.359488D+01  0.318245D+01
      3  -0.312689D+01  0.262237D+01 -0.199850D+01 -0.603151D+01  0.214401D+01
               121           122           123           124           125 
      1   0.313792D+01  0.463993D+01 -0.527109D+01 -0.166709D+01 -0.209669D+01
      2  -0.357275D+01 -0.513369D+01  0.572713D+01  0.120041D+01  0.461786D+01
      3  -0.369155D+01 -0.134234D+02  0.311517D+01  0.207734D+01  0.593800D+01
               126           127           128           129           130 
      1   0.344376D+01 -0.284960D+01 -0.329108D+01 -0.272138D+00 -0.291118D+01
      2  -0.460595D+01  0.188397D+01  0.284879D+01  0.185698D+01  0.928061D+00
      3  -0.368145D+01  0.496476D+01  0.778780D+01  0.357503D+01  0.131786D+02
               131           132           133           134           135 
      1  -0.868575D+01  0.228432D+01  0.129066D+01  0.112196D+02  0.145278D+02
      2   0.283016D+01 -0.487522D+00 -0.430251D+01 -0.201559D+01 -0.408548D+01
      3  -0.599977D+01 -0.700281D+00  0.310082D+01 -0.165199D+01  0.100682D+01
               136           137           138           139           140 
      1   0.420298D+01  0.213615D+00  0.142950D+01 -0.798963D+00  0.432406D+01
      2   0.182727D+01 -0.229388D+01  0.224273D+01 -0.210439D+01  0.414884D+01
      3  -0.890407D+01 -0.681248D+01 -0.369602D+01 -0.700599D+00  0.940859D+01
               141           142           143           144           145 
      1  -0.526428D+01  0.599627D+00  0.125471D+01 -0.116662D+02  0.195611D+01
      2  -0.271773D+01 -0.285014D+01 -0.272825D+01 -0.544163D+01 -0.272141D+00
      3  -0.234611D+01 -0.334536D+01 -0.404347D+01  0.187095D+01  0.194418D+01
               146           147           148           149           150 
      1   0.183059D+01 -0.131033D+01  0.154092D+01  0.670277D+01 -0.636217D+01
      2  -0.115178D+01  0.108295D+01  0.743362D-02 -0.238940D+01  0.155119D+01
      3   0.316979D-01 -0.123912D+01  0.562961D+01 -0.271693D+01  0.213231D+00
               151           152           153           154           155 
      1  -0.113651D+01 -0.451085D+01  0.195010D+01 -0.188990D+01  0.185287D+00
      2  -0.965984D+00  0.156631D+01 -0.310875D+00  0.535941D+00 -0.509261D-01
      3  -0.350979D+01  0.112829D+01 -0.192417D+00 -0.111672D+01 -0.147624D+01
               156           157           158           159           160 
      1   0.520536D+00  0.193876D+00 -0.176670D+01 -0.318402D+01 -0.609069D+00
      2   0.925931D+00 -0.512600D+00  0.590429D+00  0.100185D+01 -0.300262D+01
      3   0.164319D+01  0.192804D+00  0.163618D-01 -0.567242D+00  0.436462D+01
               161           162           163           164           165 
      1  -0.176824D+01 -0.171027D+02  0.122618D+01 -0.328806D-01 -0.101341D+01
      2   0.157508D+01  0.525296D+01  0.121933D+01  0.171811D+00  0.217429D+00
      3  -0.109936D+01 -0.611625D+00  0.117578D+01 -0.171579D+00 -0.124012D+01
               166           167           168           169           170 
      1   0.763035D+00  0.207558D+01  0.124568D+01  0.104555D+01  0.387045D+01
      2  -0.728437D+00 -0.154589D+00  0.145794D+01 -0.423353D+01 -0.291604D+00
      3   0.489899D+00 -0.165197D+01 -0.664310D+00 -0.329157D+01 -0.160913D+01
               171           172           173           174           175 
      1   0.121379D+02 -0.158820D+01  0.140069D+01  0.212328D+01  0.864323D+00
      2   0.742107D+01 -0.178490D+01  0.122812D+01  0.264060D+01  0.197992D+01
      3  -0.800052D+00 -0.586610D+01 -0.113547D+01  0.482422D+00  0.526740D+01
               176           177           178           179           180 
      1  -0.224290D+01 -0.288680D+01  0.150731D+01 -0.398945D+00  0.677349D+00
      2  -0.161986D+01 -0.159089D+01 -0.338238D+00 -0.511502D+00  0.107410D+00
      3   0.970084D+00  0.519372D+00  0.108785D+01  0.101464D+01 -0.667011D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.250557D+02 -0.147770D+02 -0.972573D+01  0.101462D+01  0.274569D+01
      2   0.164886D+02  0.141688D+02  0.184723D+01  0.212405D+01  0.614573D+01
      3   0.856708D+01  0.608241D+00  0.787850D+01 -0.313867D+01 -0.889142D+01
      4  -0.143720D+02 -0.680372D+01 -0.601923D+01  0.470514D+01  0.765332D+01
      5  -0.115840D+02 -0.302793D+01 -0.128943D+02 -0.905515D+00 -0.320071D+01
      6  -0.371172D+01 -0.356129D-01 -0.105111D+01 -0.829607D-01 -0.806442D+00
                 6             7             8             9            10 
      1  -0.194139D+01 -0.132779D+02 -0.448939D+01 -0.106185D+02  0.278054D+01
      2   0.122120D+01  0.218732D+01 -0.291377D+01  0.176881D+02 -0.992381D+01
      3   0.720184D+00  0.110905D+02  0.740316D+01 -0.706966D+01  0.714326D+01
      4  -0.518882D+01 -0.996319D+01 -0.403612D+01 -0.861457D+01  0.141242D+02
      5   0.315042D+00 -0.174167D+02 -0.507378D+01  0.172744D+02  0.455074D+01
      6   0.629654D+00 -0.592402D+01 -0.818668D+00  0.111660D+02 -0.127760D+01
                11            12            13            14            15 
      1   0.937852D-01 -0.555898D+01 -0.408823D+01 -0.292657D+01  0.309648D+01
      2   0.855127D+01  0.583208D+00  0.869878D+01 -0.133367D+02 -0.532091D+01
      3  -0.864506D+01  0.497577D+01 -0.461054D+01  0.162632D+02  0.222442D+01
      4  -0.167773D+02 -0.268350D+01 -0.272065D+02  0.194142D+02  0.103396D+02
      5  -0.191732D+01  0.132742D+01 -0.595093D+01  0.586976D+01  0.415973D+01
      6   0.598258D+01  0.838803D-02  0.208907D+01 -0.148526D+02 -0.915792D+01
                16            17            18            19            20 
      1   0.385009D+01 -0.366561D+00  0.453447D+01 -0.600338D+01  0.430463D+01
      2   0.140043D+01 -0.874764D+01 -0.100670D+02  0.310931D+01 -0.340354D+01
      3  -0.525053D+01  0.911420D+01  0.553254D+01  0.289408D+01 -0.901091D+00
      4  -0.113480D+02  0.170212D+02  0.578987D+01 -0.683462D+01  0.525202D+01
      5   0.520815D+01  0.187392D+01  0.674933D+01 -0.660714D+01  0.233806D+01
      6   0.882764D+00 -0.300276D+01 -0.454233D+01 -0.267258D+01  0.171629D+01
                21            22            23            24            25 
      1   0.562741D+01  0.110938D+02  0.153498D+02  0.552209D+01  0.956024D+00
      2   0.539247D+01 -0.990614D+01 -0.206601D+02  0.106559D+02  0.288299D+01
      3  -0.110199D+02 -0.118761D+01  0.531032D+01 -0.161780D+02 -0.383901D+01
      4   0.104931D+01  0.658439D+01 -0.701813D+01  0.529144D+00  0.298902D+01
      5   0.254358D+01  0.422972D+01  0.232060D+01 -0.237109D+01  0.281671D+01
      6   0.168801D+01  0.355504D+01  0.140569D+02  0.325011D-01  0.928387D-01
                26            27            28            29            30 
      1   0.537935D+01  0.122049D+02 -0.106202D+01 -0.626639D+01  0.680993D+01
      2   0.652508D+01  0.101674D+02  0.301522D+01 -0.497581D+00 -0.474393D+01
      3  -0.119044D+02 -0.223723D+02 -0.195319D+01  0.676397D+01 -0.206599D+01
      4  -0.721871D+00 -0.300457D+01 -0.168747D+01 -0.161331D+01 -0.110076D+02
      5  -0.245988D+01 -0.849464D+01  0.924044D+01 -0.120240D+02 -0.172150D+02
      6   0.273756D+01  0.885970D+00 -0.615267D+01 -0.407189D+01  0.152177D+01
                31            32            33            34            35 
      1  -0.940613D+01  0.276030D+01 -0.134700D+02 -0.969529D+00 -0.114401D+02
      2   0.270568D+01  0.509315D+00  0.545540D+01 -0.460482D+01  0.551428D+01
      3   0.670045D+01 -0.326961D+01  0.801460D+01  0.557435D+01  0.592581D+01
      4  -0.683902D+01  0.653777D+01 -0.143806D+01 -0.108032D+02 -0.661861D+01
      5  -0.182106D+02 -0.235310D+01  0.541638D+01 -0.143526D+02  0.479154D+01
      6  -0.153611D+01 -0.287912D+01 -0.532641D+01  0.144268D+01 -0.153228D+01
                36            37            38            39            40 
      1  -0.126168D+02  0.191595D+02 -0.717587D+01 -0.263468D+01 -0.330816D+01
      2   0.823984D+01  0.754459D+00 -0.795608D+01  0.144036D+01 -0.117049D+02
      3   0.437701D+01 -0.199139D+02  0.151319D+02  0.119433D+01  0.150131D+02
      4   0.398504D+01 -0.312740D+02  0.314130D+02  0.638782D+01  0.364091D+02
      5   0.205959D+02 -0.588024D+01  0.363561D+01  0.799853D+01  0.614258D+01
      6  -0.763163D+01  0.582619D+01 -0.369080D+01 -0.543586D+01 -0.540186D+01
                41            42            43            44            45 
      1  -0.123137D+02 -0.622792D+01  0.803837D-01 -0.544890D+01 -0.681324D+01
      2   0.395099D+02  0.750523D+01 -0.627954D+00  0.887966D+01  0.371161D+01
      3  -0.271962D+02 -0.127731D+01  0.547571D+00 -0.343076D+01  0.310163D+01
      4  -0.477338D+02 -0.110563D+02  0.113336D+02 -0.136646D+02 -0.147643D+02
      5  -0.708468D+01 -0.972754D+01  0.108246D+02 -0.119731D+02 -0.121405D+02
      6   0.173377D+02  0.165567D+02 -0.775461D+01  0.192154D+02  0.133809D+02
                46            47            48            49            50 
      1   0.963800D+01  0.308598D+01 -0.489001D+01 -0.556216D+00 -0.207336D+01
      2  -0.895377D+01 -0.259622D+01  0.545012D+01  0.150129D+01  0.202809D+00
      3  -0.684234D+00 -0.489766D+00 -0.560112D+00 -0.945072D+00  0.187055D+01
      4   0.582295D+01  0.488106D+01 -0.299399D+01  0.400273D+01  0.160260D+01
      5  -0.832574D+01 -0.171247D+01  0.113592D+02  0.800040D+00 -0.383182D+01
      6  -0.326908D+01 -0.137456D+01  0.235497D+01 -0.257637D+01 -0.206862D+01
                51            52            53            54            55 
      1   0.192450D+01 -0.676864D+01  0.271561D+01 -0.203216D+00  0.514784D+02
      2  -0.245020D+01  0.111510D+02 -0.455342D-01 -0.196735D+02 -0.287074D+02
      3   0.525704D+00 -0.438236D+01 -0.267008D+01  0.198767D+02 -0.227710D+02
      4  -0.445263D+01 -0.418512D+01 -0.635181D+01  0.782980D+01  0.225578D+02
      5   0.390945D+00  0.176282D+02  0.506713D+01 -0.300005D+02  0.163496D+02
      6   0.666923D+01  0.559935D+01  0.583606D+01 -0.130296D+02  0.352918D+01
                56            57            58            59            60 
      1   0.108009D+02  0.124380D+02 -0.184647D+00  0.345296D+01  0.139229D+01
      2  -0.524325D+01 -0.735924D+01  0.215426D+01  0.234132D+00  0.225513D+00
      3  -0.555768D+01 -0.507875D+01 -0.196962D+01 -0.368709D+01 -0.161781D+01
      4   0.138913D+02  0.517821D+01  0.104902D+02  0.579207D+01  0.385246D+01
      5   0.311303D+01  0.118124D+02  0.156523D+01  0.413592D+01  0.140690D+01
      6   0.125810D+01  0.311657D+01  0.132541D+01  0.814318D+00  0.263888D+01
                61            62            63            64            65 
      1   0.196711D+02  0.381046D+01  0.964839D+01  0.173378D+01 -0.763620D+00
      2  -0.127042D+02 -0.443623D+00 -0.903171D+01 -0.567687D+01  0.469693D+00
      3  -0.696690D+01 -0.336684D+01 -0.616685D+00  0.394308D+01  0.293927D+00
      4   0.937599D+01  0.716344D+01  0.725198D+01  0.282525D+00  0.133403D+01
      5   0.161079D+02  0.578578D+01  0.991096D+01  0.514431D+01  0.728219D+00
      6   0.485018D+01  0.333955D+01  0.180777D+01  0.216139D+00  0.113773D+01
                66            67            68            69            70 
      1  -0.508209D+01 -0.101165D+01 -0.435051D+01 -0.526950D+01 -0.243672D+01
      2  -0.507196D+01  0.100527D+01 -0.999628D+00 -0.593229D+01 -0.233464D+01
      3   0.101540D+02  0.638169D-02  0.535014D+01  0.112018D+02  0.477136D+01
      4  -0.595233D+00 -0.983352D+00  0.152011D+01  0.117139D+01 -0.214813D+01
      5   0.890651D+01  0.112121D+01  0.114924D+01  0.156160D+01  0.605208D+01
      6  -0.285711D+01  0.619296D+00  0.752393D+00  0.375328D+01 -0.801062D+00
                71            72            73            74            75 
      1  -0.170391D+01 -0.250825D+02  0.533255D+00 -0.859114D+00  0.286040D+00
      2  -0.363691D+01 -0.203056D+02  0.257245D+01  0.180008D+01 -0.179298D+00
      3   0.534082D+01  0.453881D+02 -0.310570D+01 -0.940967D+00 -0.106741D+00
      4   0.781163D+00  0.108423D+01  0.450583D+01  0.866385D+01 -0.230227D+01
      5   0.810485D+00  0.796008D+01 -0.250507D+01 -0.370051D+01  0.344897D+01
      6   0.468604D+01 -0.737465D+01 -0.257262D+01 -0.299289D+01  0.205177D+01
                76            77            78            79            80 
      1  -0.242833D+01 -0.223237D+02  0.832701D+01 -0.734041D+00  0.260132D+01
      2   0.461698D+01  0.324686D+02 -0.701073D+01  0.403441D+00 -0.332639D+00
      3  -0.218865D+01 -0.101448D+02 -0.131627D+01  0.330600D+00 -0.226868D+01
      4   0.762807D+01  0.830799D+01 -0.218699D+01 -0.110788D+01 -0.964044D+00
      5  -0.233005D+01 -0.275159D+01  0.184696D+01  0.192306D+01  0.223076D+01
      6  -0.363399D+01 -0.211053D+02  0.119430D+02  0.154251D+01  0.855822D+01
                81            82            83            84            85 
      1  -0.591066D+01  0.157294D+02 -0.124844D+01 -0.886972D+01 -0.224967D+01
      2   0.160620D+01 -0.135593D+02  0.199266D+01  0.101655D+02  0.281907D+01
      3   0.430446D+01 -0.217012D+01 -0.744227D+00 -0.129577D+01 -0.569402D+00
      4   0.178533D+01 -0.408548D+01  0.653291D+01  0.576973D+01  0.660363D+01
      5  -0.824809D+00 -0.179392D+02  0.592581D+01  0.198264D+02  0.645199D+01
      6  -0.549764D+01  0.425903D+01 -0.131749D+01 -0.262112D+01 -0.353652D+01
                86            87            88            89            90 
      1  -0.580278D+00  0.154327D+01 -0.794601D+01  0.570894D+00  0.214994D+01
      2  -0.302775D+00 -0.258176D+01  0.115104D+02 -0.238773D+01 -0.167936D+02
      3   0.883052D+00  0.103850D+01 -0.356437D+01  0.181684D+01  0.146436D+02
      4  -0.506449D+01 -0.587467D+01  0.439372D+01 -0.476033D+01 -0.745760D+01
      5  -0.661000D+01 -0.748205D+01  0.197755D+02 -0.644970D+01 -0.290285D+02
      6   0.394694D+01  0.826681D+01 -0.455391D+01  0.535106D+01  0.705926D+01
                91            92            93            94            95 
      1  -0.179964D+02  0.944395D+01 -0.176255D+02  0.171378D+02 -0.102177D+02
      2   0.117398D+02 -0.125581D+02  0.105028D+02 -0.187117D+02 -0.117160D+01
      3   0.625654D+01  0.311416D+01  0.712273D+01  0.157395D+01  0.113893D+02
      4   0.857991D+01 -0.978771D+01  0.174834D+02 -0.125675D+02 -0.166804D+02
      5  -0.950794D+01  0.212908D+02  0.362441D+01  0.271857D+02  0.810365D+01
      6   0.575851D+01  0.769924D+01  0.789045D+01  0.804666D+01  0.628661D+01
                96            97            98            99           100 
      1   0.254352D+02 -0.131531D+02  0.234956D+02  0.109926D+02 -0.515843D+01
      2  -0.797106D+01  0.117068D+02 -0.597980D+01 -0.455495D+01  0.144437D+01
      3  -0.174642D+02  0.144631D+01 -0.175159D+02 -0.643761D+01  0.371406D+01
      4   0.119337D+02  0.221898D+02  0.147159D+02 -0.296178D+01 -0.332506D+01
      5  -0.189590D+01  0.375080D+00 -0.340317D+01 -0.724040D+01  0.356268D+00
      6  -0.407551D+01  0.720209D+01 -0.490236D+01 -0.454973D+01  0.229488D+01
               101           102           103           104           105 
      1   0.353359D+01  0.103585D+02  0.307057D+01 -0.631120D+01 -0.959913D+01
      2  -0.208029D+01 -0.234512D+01 -0.626551D+00  0.577464D+01  0.403162D+01
      3  -0.145330D+01 -0.801335D+01 -0.244402D+01  0.536563D+00  0.556751D+01
      4  -0.752039D+00 -0.179108D+01  0.381633D+01  0.634807D+01  0.243443D+01
      5  -0.332923D+01 -0.380116D+01 -0.204079D+01  0.313229D+01  0.545903D+01
      6  -0.463875D+01 -0.584625D+01 -0.228573D+01  0.672452D+01  0.949659D+01
               106           107           108           109           110 
      1   0.111983D+02 -0.954741D+01 -0.174692D+02  0.517164D+02 -0.122860D+02
      2  -0.462352D+01  0.364106D+01 -0.122751D+01 -0.312562D+02  0.921975D+01
      3  -0.657482D+01  0.590634D+01  0.186967D+02 -0.204603D+02  0.306623D+01
      4   0.103372D+01  0.426334D+01  0.437098D+01 -0.657262D+01  0.115490D+02
      5   0.244274D+01  0.610776D+01  0.153817D+02  0.215174D+02 -0.674736D+01
      6  -0.255627D+01  0.994173D+01  0.154155D+02 -0.998217D+00  0.176699D+01
               111           112           113           114           115 
      1   0.146737D+02 -0.243151D+02  0.102842D+02 -0.837651D+01  0.153573D+02
      2  -0.118084D+02  0.157847D+02 -0.529633D+01  0.625854D+01 -0.125745D+02
      3  -0.286537D+01  0.853041D+01 -0.498792D+01  0.211797D+01 -0.278278D+01
      4  -0.350237D+01  0.112100D+02 -0.974940D+01  0.322668D+01 -0.357016D+01
      5   0.144073D+02 -0.125432D+02  0.515484D+01 -0.821554D+01  0.161665D+02
      6  -0.470627D+00  0.216952D+01 -0.357961D+01  0.243533D+01 -0.909749D+00
               116           117           118           119           120 
      1  -0.537604D+01  0.794827D+01  0.180275D+02  0.951430D+01 -0.284706D+01
      2   0.424693D+01 -0.893270D+01 -0.506375D+01  0.146818D+01 -0.418793D+00
      3   0.112910D+01  0.984430D+00 -0.129638D+02 -0.109825D+02  0.326585D+01
      4   0.244022D+01 -0.211206D+01  0.171204D+02  0.189940D+02 -0.692059D+01
      5  -0.428587D+01  0.130204D+02 -0.364863D+01 -0.589045D+01  0.614627D+01
      6   0.319159D+01  0.413562D+00 -0.240529D+01 -0.139854D+01  0.162380D+01
               121           122           123           124           125 
      1   0.113622D+02  0.564510D+01 -0.378524D+01 -0.857140D+01 -0.484889D+01
      2   0.306188D+01  0.147787D+02 -0.318558D+01  0.155503D+01 -0.352444D+01
      3  -0.144241D+02 -0.204238D+02  0.697082D+01  0.701637D+01  0.837333D+01
      4   0.247969D+02  0.351764D+02 -0.933251D+01 -0.126824D+02 -0.153100D+02
      5  -0.595867D+01 -0.805254D+01  0.861430D+01  0.748058D+01  0.925491D+01
      6  -0.243143D+01 -0.421786D+01  0.673435D+01  0.312995D+01  0.706986D+01
               126           127           128           129           130 
      1   0.832620D+00 -0.180722D+01  0.852807D+01 -0.177233D-01  0.133947D+02
      2   0.110304D+01  0.492289D+01 -0.138971D+02  0.325194D+01 -0.182539D+02
      3  -0.193566D+01 -0.311568D+01  0.536900D+01 -0.323421D+01  0.485917D+01
      4   0.921631D+01  0.235854D+01 -0.670834D+00  0.543946D+01  0.290272D+01
      5  -0.924482D+01  0.199821D+01  0.184220D+01 -0.944202D+00 -0.882229D+00
      6  -0.576888D+01  0.646308D+01  0.348248D+01  0.852135D-01  0.485776D+01
               131           132           133           134           135 
      1   0.179092D+02 -0.489377D+01 -0.138613D+00 -0.455897D+01  0.154640D+02
      2  -0.325136D+02  0.119184D+02  0.318647D+01  0.178831D+02 -0.104622D+02
      3   0.146044D+02 -0.702467D+01 -0.304785D+01 -0.133241D+02 -0.500183D+01
      4  -0.176112D+02  0.589259D+01  0.473145D+01  0.680795D+01 -0.289920D+01
      5   0.420790D+01 -0.329291D+00  0.861228D+00 -0.332659D+01 -0.627244D+01
      6   0.146014D+02 -0.731759D+01 -0.133692D+01 -0.140433D+02 -0.279723D+02
               136           137           138           139           140 
      1   0.327962D+01  0.132900D+01  0.138433D+01 -0.478337D+01 -0.807582D+01
      2  -0.131294D+02  0.106824D+02 -0.312717D+01  0.157999D+02 -0.200862D+01
      3   0.984975D+01 -0.120114D+02  0.174283D+01 -0.110165D+02  0.100844D+02
      4   0.136040D+02 -0.217739D+02 -0.524886D+00 -0.199771D+02  0.148396D+02
      5   0.183364D+01  0.283308D+01  0.219298D+01  0.395652D+01 -0.111707D+01
      6  -0.298565D+01 -0.243750D+01 -0.238447D+01 -0.321874D+01 -0.346422D+01
               141           142           143           144           145 
      1   0.552919D+01  0.123351D+01  0.380206D+01  0.840711D+01 -0.122435D+01
      2  -0.822412D+00  0.147492D+00 -0.518020D+01  0.113598D+02  0.729805D+01
      3  -0.470678D+01 -0.138100D+01  0.137813D+01 -0.197669D+02 -0.607371D+01
      4  -0.165995D+01  0.143320D+00  0.384545D+01  0.572077D+00  0.866272D+01
      5  -0.327958D+01  0.286250D+01 -0.833234D+00 -0.980671D+01 -0.155989D+01
      6   0.573702D+01  0.597425D+00  0.391899D+01  0.177647D+02 -0.405274D+01
               146           147           148           149           150 
      1  -0.353665D+01  0.765018D-01 -0.543067D+01 -0.352132D+02  0.598306D+01
      2   0.108152D+02 -0.142370D+01  0.130255D+02  0.652283D+02 -0.109965D+02
      3  -0.727853D+01  0.134720D+01 -0.759486D+01 -0.300151D+02  0.501343D+01
      4   0.146449D+02 -0.350245D+01  0.124121D+02  0.246505D+02 -0.410747D+01
      5  -0.194775D+01  0.261719D+01 -0.152571D+01 -0.274952D+01  0.255209D+01
      6  -0.262946D+01  0.193314D+01 -0.290828D+01 -0.145006D+02  0.104583D+02
               151           152           153           154           155 
      1   0.136243D+01  0.115353D+02 -0.761571D+01  0.408750D+00  0.285411D-01
      2  -0.347454D+01 -0.189750D+02  0.871901D+01 -0.240613D+01  0.778876D+00
      3   0.211210D+01  0.743969D+01 -0.110330D+01  0.199738D+01 -0.807418D+00
      4  -0.508599D+01 -0.762281D+01  0.433201D+01 -0.475229D+00  0.341638D+01
      5   0.254194D+01  0.378397D+01 -0.160850D+01  0.102933D+01  0.173468D+01
      6   0.330954D+01  0.146747D+02 -0.571172D+01  0.371688D+01 -0.874971D+00
               156           157           158           159           160 
      1   0.141781D+01 -0.146070D+01 -0.775681D+01 -0.553418D+01  0.125551D+01
      2  -0.153329D+01  0.220545D+01  0.938119D+01  0.411400D+01 -0.109047D+01
      3   0.115486D+00 -0.744752D+00 -0.162438D+01  0.142018D+01 -0.165041D+00
      4   0.385091D+01  0.218784D+01  0.303290D+01  0.981832D+00  0.534008D+01
      5   0.622930D+01  0.864551D+00  0.108306D+01  0.107667D+01  0.424629D+01
      6  -0.791446D+00  0.105029D+00  0.682664D+01  0.102130D+02  0.220752D+01
               161           162           163           164           165 
      1  -0.101915D+02 -0.198881D+02 -0.175215D+01 -0.714344D+00  0.157910D+01
      2   0.703443D+01  0.113455D+01 -0.283957D+00 -0.960817D+00  0.206541D+00
      3   0.315704D+01  0.187536D+02  0.203610D+01  0.167516D+01 -0.178564D+01
      4   0.234501D+01  0.360656D+01 -0.452297D+00  0.401656D+01 -0.125634D+01
      5   0.337226D+01  0.883068D+01  0.872220D+00 -0.192661D+00  0.516545D+01
      6   0.174302D+02  0.349653D+02 -0.113851D+01  0.479383D+00  0.238560D+01
               166           167           168           169           170 
      1   0.115584D+01 -0.726375D+00 -0.539219D+00  0.197491D+01  0.391575D+01
      2  -0.287987D+01 -0.794387D+00 -0.386970D+01 -0.277647D+01 -0.378493D+01
      3   0.172403D+01  0.152076D+01  0.440892D+01  0.801556D+00 -0.130821D+00
      4   0.306428D+01 -0.140904D+01  0.139572D+01 -0.293038D+01  0.268002D+01
      5   0.183122D+00  0.118310D+01  0.315588D+01  0.506679D+01 -0.823185D+00
      6   0.406013D+00 -0.112219D+01  0.259788D+01 -0.194273D+01  0.521718D+01
               171           172           173           174           175 
      1  -0.153859D+02  0.112173D+02 -0.219285D+01 -0.258528D+00  0.572146D+00
      2  -0.153495D+02  0.479386D+01 -0.111752D+02  0.600098D+00 -0.125772D+02
      3   0.307354D+02 -0.160112D+02  0.133680D+02 -0.341570D+00  0.120051D+02
      4  -0.290575D+01 -0.279083D+02  0.263084D+02 -0.149030D+01  0.249922D+02
      5   0.121964D+02  0.252169D+01 -0.238276D+01  0.434442D+01 -0.215299D+01
      6  -0.191330D+02 -0.827206D+00  0.193968D+01 -0.320168D+01  0.229417D+01
               176           177           178           179           180 
      1  -0.709054D+01  0.504374D+00 -0.151440D+01 -0.234113D+00 -0.197545D+01
      2   0.264754D+02 -0.486013D+00  0.109194D+00  0.184832D+01  0.127171D+01
      3  -0.193848D+02 -0.183608D-01  0.140521D+01 -0.161420D+01  0.703739D+00
      4  -0.289771D+02  0.139582D+01  0.229380D+01 -0.201354D+01 -0.510435D+01
      5   0.141065D+01 -0.265454D+01  0.362159D+01 -0.381816D+01  0.597901D+00
      6  -0.218187D+01  0.481047D+01 -0.444572D+01  0.584993D+01 -0.107826D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:23:03 2021, MaxMem= 10737418240 cpu:           11704.6 elap:             732.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13635 -10.27152 -10.20103 -10.19249 -10.19190
 Alpha  occ. eigenvalues --  -10.18961 -10.18817 -10.17922  -1.04837  -0.84811
 Alpha  occ. eigenvalues --   -0.77929  -0.73688  -0.69429  -0.62416  -0.58835
 Alpha  occ. eigenvalues --   -0.52183  -0.49944  -0.47500  -0.46283  -0.43916
 Alpha  occ. eigenvalues --   -0.42204  -0.41520  -0.40882  -0.39633  -0.37249
 Alpha  occ. eigenvalues --   -0.36732  -0.35717  -0.33239  -0.32918  -0.32358
 Alpha  occ. eigenvalues --   -0.24553
 Alpha virt. eigenvalues --   -0.03053  -0.01183  -0.00014   0.00519   0.00863
 Alpha virt. eigenvalues --    0.02451   0.02608   0.02988   0.03461   0.04013
 Alpha virt. eigenvalues --    0.05538   0.05842   0.06117   0.06934   0.07477
 Alpha virt. eigenvalues --    0.08021   0.08531   0.08903   0.09444   0.09835
 Alpha virt. eigenvalues --    0.10252   0.10749   0.10824   0.11629   0.11749
 Alpha virt. eigenvalues --    0.11908   0.12285   0.12554   0.13137   0.13518
 Alpha virt. eigenvalues --    0.14188   0.14423   0.14608   0.14892   0.15442
 Alpha virt. eigenvalues --    0.15978   0.16860   0.17565   0.17988   0.18992
 Alpha virt. eigenvalues --    0.19348   0.20522   0.21403   0.21561   0.22358
 Alpha virt. eigenvalues --    0.22877   0.23007   0.23232   0.24698   0.26408
 Alpha virt. eigenvalues --    0.26799   0.27039   0.27980   0.28228   0.29165
 Alpha virt. eigenvalues --    0.29645   0.30176   0.30808   0.31426   0.32209
 Alpha virt. eigenvalues --    0.33006   0.33540   0.34036   0.35128   0.35677
 Alpha virt. eigenvalues --    0.35829   0.36709   0.36877   0.37190   0.37953
 Alpha virt. eigenvalues --    0.38371   0.38633   0.38819   0.39754   0.40807
 Alpha virt. eigenvalues --    0.41723   0.42459   0.42738   0.43169   0.44344
 Alpha virt. eigenvalues --    0.45096   0.45980   0.46557   0.47116   0.47804
 Alpha virt. eigenvalues --    0.48002   0.49018   0.50088   0.50708   0.51722
 Alpha virt. eigenvalues --    0.51955   0.52814   0.54467   0.55445   0.56413
 Alpha virt. eigenvalues --    0.56607   0.57225   0.57834   0.58558   0.59353
 Alpha virt. eigenvalues --    0.60226   0.62370   0.62469   0.62897   0.63597
 Alpha virt. eigenvalues --    0.63851   0.65070   0.65335   0.66969   0.67579
 Alpha virt. eigenvalues --    0.68512   0.68848   0.69350   0.69917   0.69968
 Alpha virt. eigenvalues --    0.71212   0.72013   0.72995   0.73236   0.74504
 Alpha virt. eigenvalues --    0.75333   0.76155   0.77392   0.78144   0.79066
 Alpha virt. eigenvalues --    0.79901   0.80066   0.81011   0.82723   0.83030
 Alpha virt. eigenvalues --    0.84082   0.85354   0.86655   0.87197   0.88832
 Alpha virt. eigenvalues --    0.91002   0.92026   0.92803   0.95885   0.97678
 Alpha virt. eigenvalues --    0.97823   1.00551   1.02675   1.03130   1.04716
 Alpha virt. eigenvalues --    1.08168   1.08396   1.08783   1.10513   1.12191
 Alpha virt. eigenvalues --    1.14841   1.15309   1.17851   1.18734   1.19964
 Alpha virt. eigenvalues --    1.20931   1.23440   1.25850   1.26554   1.27796
 Alpha virt. eigenvalues --    1.32246   1.33002   1.33963   1.35250   1.37670
 Alpha virt. eigenvalues --    1.40892   1.44105   1.45891   1.47211   1.49028
 Alpha virt. eigenvalues --    1.52730   1.54010   1.55308   1.57083   1.57845
 Alpha virt. eigenvalues --    1.58735   1.61110   1.62303   1.62768   1.64979
 Alpha virt. eigenvalues --    1.65447   1.68410   1.69728   1.70099   1.72143
 Alpha virt. eigenvalues --    1.73533   1.75908   1.77125   1.77609   1.79423
 Alpha virt. eigenvalues --    1.80306   1.82339   1.82782   1.83964   1.86524
 Alpha virt. eigenvalues --    1.87757   1.89217   1.90548   1.92290   1.93264
 Alpha virt. eigenvalues --    1.94043   1.94886   1.97152   1.97618   2.00295
 Alpha virt. eigenvalues --    2.00936   2.03006   2.05273   2.06975   2.08352
 Alpha virt. eigenvalues --    2.09404   2.11640   2.13770   2.15170   2.16211
 Alpha virt. eigenvalues --    2.17249   2.18860   2.21109   2.23827   2.24667
 Alpha virt. eigenvalues --    2.27966   2.28699   2.30851   2.32728   2.33568
 Alpha virt. eigenvalues --    2.36089   2.38556   2.40352   2.43444   2.45910
 Alpha virt. eigenvalues --    2.47552   2.48379   2.52618   2.53049   2.54520
 Alpha virt. eigenvalues --    2.55371   2.58160   2.59982   2.64155   2.65176
 Alpha virt. eigenvalues --    2.69852   2.70036   2.74989   2.77751   2.78840
 Alpha virt. eigenvalues --    2.84552   2.87557   2.87866   2.90971   2.93389
 Alpha virt. eigenvalues --    3.02753   3.09607   3.14712   3.41921   3.45270
 Alpha virt. eigenvalues --    3.46841   3.49710   3.57625   3.63795   3.79909
 Alpha virt. eigenvalues --    4.23026
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.923290  -0.207273  -0.241870  -0.367264  -0.098086  -0.230075
     2  C   -0.207273   7.425571  -0.622313  -0.436861  -0.045137   0.036610
     3  C   -0.241870  -0.622313   7.787032  -0.956096   0.114672   0.156083
     4  C   -0.367264  -0.436861  -0.956096  10.351285   0.094425  -0.087346
     5  O   -0.098086  -0.045137   0.114672   0.094425   8.606445   0.025616
     6  H   -0.230075   0.036610   0.156083  -0.087346   0.025616   1.818821
     7  H   -0.073106  -0.018852  -0.061811   0.043244   0.019602  -0.372832
     8  H   -0.191787  -0.383519   0.096909   0.767478   0.019854   0.022424
     9  H    0.206748   0.370626  -1.040541  -0.350796  -0.054496  -0.002066
    10  H    0.064302   0.104362   0.519719  -2.085363   0.001165  -0.016171
    11  C    0.080452  -0.019276  -0.142486  -0.069693  -0.004109   0.023251
    12  H   -0.002401  -0.050343  -0.043875  -0.217286   0.007009   0.001750
    13  H   -0.015162   0.005319  -0.123904   0.339488  -0.001637   0.000057
    14  H    0.006790   0.092811   0.126794  -0.012898  -0.005012   0.001415
    15  C    0.053761  -0.027084  -0.935903   0.133351  -0.053787  -0.032199
    16  C   -0.209598  -0.110512  -0.186431  -1.364677  -0.020867   0.041249
    17  H    0.194572   0.068898   0.052859   0.035802  -0.008040  -0.183411
    18  H    0.210920  -0.187534   0.165354  -0.124538   0.013891   0.100608
    19  H    0.109333  -0.093760   0.101716  -0.263979   0.003475  -0.005020
    20  H    0.034742   0.012174   0.018398   0.506828   0.000241   0.023044
               7          8          9         10         11         12
     1  C   -0.073106  -0.191787   0.206748   0.064302   0.080452  -0.002401
     2  C   -0.018852  -0.383519   0.370626   0.104362  -0.019276  -0.050343
     3  C   -0.061811   0.096909  -1.040541   0.519719  -0.142486  -0.043875
     4  C    0.043244   0.767478  -0.350796  -2.085363  -0.069693  -0.217286
     5  O    0.019602   0.019854  -0.054496   0.001165  -0.004109   0.007009
     6  H   -0.372832   0.022424  -0.002066  -0.016171   0.023251   0.001750
     7  H    1.792955  -0.047975   0.018138   0.021699  -0.015457   0.000207
     8  H   -0.047975   2.005422  -0.619863  -0.334151  -0.015411   0.011830
     9  H    0.018138  -0.619863   2.743499   0.148865   0.074280  -0.046550
    10  H    0.021699  -0.334151   0.148865   3.086311  -0.110867   0.083281
    11  C   -0.015457  -0.015411   0.074280  -0.110867   4.991595   0.442820
    12  H    0.000207   0.011830  -0.046550   0.083281   0.442820   1.930665
    13  H   -0.001330  -0.023277   0.039746  -0.017504  -0.052227  -0.390528
    14  H   -0.000650   0.042340  -0.050372  -0.140674   0.094310  -0.432871
    15  C    0.185740   0.062658   0.028260  -0.128046  -0.073188   0.016601
    16  C   -0.003511  -0.061087   0.082210   0.528180  -0.213085  -0.065116
    17  H   -0.014175   0.014443  -0.000788   0.012013  -0.000899   0.000989
    18  H   -0.169481  -0.007174   0.013694   0.011988   0.025138  -0.002433
    19  H    0.021246  -0.042643   0.031877   0.173139  -0.127884  -0.044051
    20  H   -0.004616   0.027353  -0.011414  -0.264255   0.153279   0.003130
              13         14         15         16         17         18
     1  C   -0.015162   0.006790   0.053761  -0.209598   0.194572   0.210920
     2  C    0.005319   0.092811  -0.027084  -0.110512   0.068898  -0.187534
     3  C   -0.123904   0.126794  -0.935903  -0.186431   0.052859   0.165354
     4  C    0.339488  -0.012898   0.133351  -1.364677   0.035802  -0.124538
     5  O   -0.001637  -0.005012  -0.053787  -0.020867  -0.008040   0.013891
     6  H    0.000057   0.001415  -0.032199   0.041249  -0.183411   0.100608
     7  H   -0.001330  -0.000650   0.185740  -0.003511  -0.014175  -0.169481
     8  H   -0.023277   0.042340   0.062658  -0.061087   0.014443  -0.007174
     9  H    0.039746  -0.050372   0.028260   0.082210  -0.000788   0.013694
    10  H   -0.017504  -0.140674  -0.128046   0.528180   0.012013   0.011988
    11  C   -0.052227   0.094310  -0.073188  -0.213085  -0.000899   0.025138
    12  H   -0.390528  -0.432871   0.016601  -0.065116   0.000989  -0.002433
    13  H    1.989474  -0.487434   0.019518   0.060096  -0.001319   0.006631
    14  H   -0.487434   2.171144  -0.014810  -0.061742   0.002186  -0.004888
    15  C    0.019518  -0.014810   6.291042   0.496975  -0.561396  -0.358589
    16  C    0.060096  -0.061742   0.496975   6.765371   0.207955  -0.103466
    17  H   -0.001319   0.002186  -0.561396   0.207955   2.277533  -0.442062
    18  H    0.006631  -0.004888  -0.358589  -0.103466  -0.442062   2.229094
    19  H   -0.045272   0.004251  -0.311291  -0.318825  -0.097294   0.168793
    20  H   -0.013147   0.019611   0.017602  -0.748258  -0.118342  -0.122967
              19         20
     1  C    0.109333   0.034742
     2  C   -0.093760   0.012174
     3  C    0.101716   0.018398
     4  C   -0.263979   0.506828
     5  O    0.003475   0.000241
     6  H   -0.005020   0.023044
     7  H    0.021246  -0.004616
     8  H   -0.042643   0.027353
     9  H    0.031877  -0.011414
    10  H    0.173139  -0.264255
    11  C   -0.127884   0.153279
    12  H   -0.044051   0.003130
    13  H   -0.045272  -0.013147
    14  H    0.004251   0.019611
    15  C   -0.311291   0.017602
    16  C   -0.318825  -0.748258
    17  H   -0.097294  -0.118342
    18  H    0.168793  -0.122967
    19  H    2.777356  -0.536978
    20  H   -0.536978   2.511000
 Mulliken charges:
               1
     1  C    0.751710
     2  C    0.086095
     3  C    1.215692
     4  C    0.064897
     5  O   -0.615222
     6  H   -0.321807
     7  H   -0.319036
     8  H   -0.343823
     9  H   -0.581056
    10  H   -0.657992
    11  C    0.959454
    12  H   -0.202830
    13  H   -0.287588
    14  H   -0.350302
    15  C    1.190786
    16  C    1.285138
    17  H   -0.439525
    18  H   -0.422977
    19  H   -0.504189
    20  H   -0.507424
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.110866
     2  C    0.086095
     3  C    0.290813
     4  C   -0.593095
     5  O   -0.615222
    11  C    0.118735
    15  C    0.328284
    16  C    0.273525
 Electronic spatial extent (au):  <R**2>=            982.4719
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.6642    Y=              2.6951    Z=              1.2173  Tot=              3.3934
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.1164   YY=            -55.2535   ZZ=            -49.7146
   XY=              5.4391   XZ=              1.5505   YZ=             -2.1492
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4216   YY=             -2.5587   ZZ=              2.9802
   XY=              5.4391   XZ=              1.5505   YZ=             -2.1492
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.1771  YYY=              6.0005  ZZZ=              0.1413  XYY=             -8.5212
  XXY=              9.2158  XXZ=              4.4383  XZZ=              2.5060  YZZ=             -0.6003
  YYZ=              2.9433  XYZ=             -3.1103
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -680.6510 YYYY=           -510.3278 ZZZZ=           -170.2316 XXXY=              6.5123
 XXXZ=              5.3292 YYYX=             11.1940 YYYZ=             -7.4794 ZZZX=             -3.7156
 ZZZY=              2.6859 XXYY=           -209.0512 XXZZ=           -141.9793 YYZZ=           -112.5611
 XXYZ=             -6.7501 YYXZ=              1.3785 ZZXY=             -0.4555
 N-N= 3.912591214095D+02 E-N=-1.593944376184D+03  KE= 3.471009521713D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:23:04 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.35028629D-01 1.03621147D+00 4.65101343D-01
 Polarizability= 8.71451293D+01 7.37019006D-01 8.56738357D+01
                -1.69420051D+00 4.74103926D-01 7.18484302D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0719    1.0720        0.3157    0.3159
 2     -1.0719   -1.0720       -0.2833   -0.2845       -0.7557   -0.7567
 3     -0.3157   -0.3159        8.5691    8.5683        0.2833    0.2845
 4      0.2833    0.2845        0.0000    0.0000       -0.3162   -0.3159
 5     -7.8134   -7.8116        0.3162    0.3159        1.0735    1.0720
 6     -0.2833   -0.2845       -1.0735   -1.0720       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.2160   -3.2160        0.9478    0.9478
 2      0.8535    0.8535        0.0000    0.0000        0.9478    0.9478
 3      0.8535    0.8535       -3.2160   -3.2160        0.0000    0.0000
 4     -3.2160   -3.2160       -0.8535   -0.8535       -2.2702   -2.2702
 5     -0.9478   -0.9478       25.7050   25.7050        0.8535    0.8535
 6    -23.4348  -23.4348        0.9478    0.9478        3.2160    3.2160
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0240    0.0000       -4.3221   -4.2880       -1.2887   -1.2637
 2      4.3737    4.2880        1.0718    1.1381        2.9396    3.0270
 3      1.2399    1.2637      -34.2946  -34.2734       -1.1023   -1.1381
 4     -1.0754   -1.1381       -0.0457    0.0000        1.2492    1.2637
 5     31.2450   31.2464       -1.2720   -1.2637       -4.2947   -4.2880
 6      1.1382    1.1381        4.2671    4.2880       -0.0110    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0214    0.0000        7.9679    8.0207       12.9268   12.8994
 2     -8.0570   -8.0207       -6.1416   -6.1443      -19.3867  -19.3677
 3    -12.8145  -12.8994       12.7837   12.8642        5.9968    6.1443
 4      6.0565    6.1443       -0.0393    0.0000      -12.9565  -12.8994
 5      6.5115    6.5035       12.8176   12.8994        7.9483    8.0207
 6     -6.0916   -6.1443       -7.9868   -8.0207       -0.0280    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.4748    8.4220        9.1167    9.1189      -15.2776  -15.2386
 2     20.4703   20.4834       13.2684   13.2844      -15.2655  -15.2386
 3     20.5007   20.4834        9.0794    9.1189      -25.8981  -25.8685
 4     -4.1261   -4.1655      -12.0186  -12.0614      -16.5672  -16.5040
 5    -10.5243  -10.6299       10.1326   10.1985       11.9128   12.0614
 6      6.3996    6.3055       10.5248   10.6299        4.0416    4.1655
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.5210   -6.3633   -0.0007   -0.0006   -0.0003    6.6701
 Low frequencies ---   59.2935   73.3413  253.6374
 Diagonal vibrational polarizability:
       13.0453635       4.3436223      16.4340118
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     59.2811                73.3276               253.6373
 Red. masses --      2.3724                 4.1820                 1.1158
 Frc consts  --      0.0049                 0.0132                 0.0423
 IR Inten    --      1.0780                 3.5435                 0.1521
 RamAct Fr= 1--      0.4259                 1.1829                 0.0995
  Dep-P Fr= 1--      0.7022                 0.6934                 0.4306
  Dep-U Fr= 1--      0.8251                 0.8189                 0.6020
 Alpha2 Fr= 1--      0.0004                 0.0012                 0.0007
 Beta2  Fr= 1--      0.0586                 0.1615                 0.0100
 AlphaG Fr= 1--     -0.0043                 0.0047                -0.0051
 Gamma2 Fr= 1--     -0.1788                 0.1154                -0.0018
 Delta2 Fr= 1--     -0.0025                -0.0816                 0.0019
 Raman1 Fr= 1--       1.703                  4.732                  0.398
 ROA1   Fr= 1--     -17.244                  8.468                 -0.110
 CID1   Fr= 1--     -10.123                  1.790                 -0.276
 Raman2 Fr= 1--       0.703                  1.937                  0.120
 ROA2   Fr= 1--      -4.271                  3.423                 -0.057
 CID2   Fr= 1--      -6.078                  1.767                 -0.478
 Raman3 Fr= 1--       1.405                  3.875                  0.240
 ROA3   Fr= 1--     -17.244                  8.468                 -0.110
 CID3   Fr= 1--     -12.269                  2.185                 -0.458
 RC180  Fr= 1--       0.650                  0.638                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.03   0.17    -0.04   0.00  -0.09     0.02  -0.01   0.04
     2   6     0.02   0.02   0.00     0.06  -0.02  -0.03     0.01  -0.01   0.01
     3   6    -0.00  -0.04  -0.04    -0.04  -0.11  -0.17     0.01  -0.00   0.00
     4   6     0.01   0.01  -0.01    -0.03   0.01  -0.01    -0.00  -0.01   0.01
     5   8    -0.00   0.06  -0.10     0.28  -0.01   0.19    -0.00  -0.01   0.00
     6   1     0.32   0.08   0.25    -0.17  -0.00  -0.13     0.15  -0.03   0.08
     7   1    -0.07   0.01   0.40     0.04   0.03  -0.22    -0.04  -0.01   0.15
     8   1    -0.03  -0.11  -0.00    -0.05  -0.31  -0.09     0.00   0.02  -0.00
     9   1    -0.01  -0.05  -0.12    -0.06  -0.13  -0.35     0.01  -0.00   0.02
    10   1     0.10   0.13   0.00     0.09   0.01   0.07    -0.01  -0.05   0.02
    11   6    -0.13   0.01   0.13    -0.21   0.14   0.06    -0.01   0.02  -0.02
    12   1    -0.22  -0.11   0.12    -0.36   0.16  -0.05    -0.13   0.46  -0.31
    13   1    -0.11   0.05   0.14    -0.22   0.24   0.21    -0.29  -0.08   0.42
    14   1    -0.16   0.10   0.23    -0.21   0.14   0.06     0.38  -0.29  -0.18
    15   6    -0.02   0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.07
    16   6     0.06  -0.10  -0.14    -0.03   0.01   0.02    -0.03   0.01   0.02
    17   1    -0.01  -0.01  -0.04    -0.02   0.01   0.06    -0.00  -0.04  -0.18
    18   1    -0.16   0.07  -0.03     0.02  -0.10   0.02     0.03   0.14  -0.09
    19   1     0.21  -0.25  -0.10    -0.05   0.04   0.01    -0.10   0.03   0.01
    20   1     0.02  -0.11  -0.35    -0.02   0.02   0.05    -0.01   0.02   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.1194               338.0060               379.7991
 Red. masses --      1.5648                 2.2608                 1.9775
 Frc consts  --      0.0708                 0.1522                 0.1681
 IR Inten    --      0.1971                 0.3528                 0.7763
 RamAct Fr= 1--      0.0649                 0.8401                 0.8435
  Dep-P Fr= 1--      0.2759                 0.5424                 0.2573
  Dep-U Fr= 1--      0.4325                 0.7033                 0.4093
 Alpha2 Fr= 1--      0.0007                 0.0034                 0.0098
 Beta2  Fr= 1--      0.0047                 0.0985                 0.0575
 AlphaG Fr= 1--     -0.0014                 0.0091                -0.0091
 Gamma2 Fr= 1--      0.0470                 0.1798                -0.3023
 Delta2 Fr= 1--      0.0400                 0.0289                 0.0756
 Raman1 Fr= 1--       0.260                  3.360                  3.374
 ROA1   Fr= 1--       5.795                 18.182                -26.604
 CID1   Fr= 1--      22.313                  5.411                 -7.885
 Raman2 Fr= 1--       0.056                  1.182                  0.691
 ROA2   Fr= 1--       0.809                  4.084                 -7.861
 CID2   Fr= 1--      14.407                  3.456                -11.384
 Raman3 Fr= 1--       0.112                  2.363                  1.381
 ROA3   Fr= 1--       5.795                 18.182                -26.604
 CID3   Fr= 1--      51.586                  7.693                -19.263
 RC180  Fr= 1--      -0.135                  0.407                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.05    -0.05   0.03  -0.05     0.08   0.00   0.01
     2   6    -0.00   0.02  -0.01     0.01   0.02   0.08     0.07   0.00  -0.03
     3   6     0.00   0.07   0.00     0.05  -0.05   0.13     0.09   0.14   0.03
     4   6     0.00   0.03  -0.06     0.04  -0.08   0.07    -0.04  -0.07  -0.05
     5   8    -0.03  -0.01   0.01    -0.03   0.05  -0.02     0.02  -0.04  -0.01
     6   1    -0.22   0.07  -0.11    -0.25  -0.05  -0.11     0.20   0.07   0.05
     7   1     0.09   0.01  -0.22     0.06   0.10  -0.24     0.00   0.03   0.14
     8   1    -0.00   0.14  -0.02    -0.00  -0.02   0.13     0.11   0.52  -0.12
     9   1     0.01   0.07   0.07     0.10  -0.07   0.13     0.19   0.16   0.42
    10   1     0.01   0.09  -0.08     0.03  -0.04   0.05    -0.05  -0.13  -0.04
    11   6    -0.02  -0.05   0.03    -0.01   0.16  -0.09    -0.14   0.01  -0.06
    12   1    -0.13   0.16  -0.14    -0.04   0.30  -0.17    -0.24  -0.09  -0.07
    13   1    -0.24  -0.17   0.29     0.10   0.39   0.02    -0.03   0.17  -0.04
    14   1     0.28  -0.19   0.04    -0.16   0.09  -0.32    -0.31   0.10  -0.05
    15   6    -0.00  -0.05   0.14    -0.04   0.00  -0.01    -0.01  -0.07   0.02
    16   6     0.06  -0.01  -0.08     0.04  -0.15  -0.02    -0.05  -0.02   0.04
    17   1     0.03   0.07   0.40    -0.11   0.00  -0.05    -0.05  -0.04   0.07
    18   1    -0.09  -0.32   0.18    -0.03   0.02  -0.02    -0.00  -0.11   0.02
    19   1     0.24  -0.06  -0.06     0.18  -0.33   0.02    -0.14   0.10   0.01
    20   1     0.04  -0.01  -0.24    -0.05  -0.21  -0.25    -0.01   0.00   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    409.7323               465.3983               484.5947
 Red. masses --      3.2142                 2.9942                 3.5321
 Frc consts  --      0.3179                 0.3821                 0.4887
 IR Inten    --      1.3395                 4.5495                 7.5731
 RamAct Fr= 1--      1.5178                 0.7476                 0.9007
  Dep-P Fr= 1--      0.6635                 0.2193                 0.7493
  Dep-U Fr= 1--      0.7977                 0.3597                 0.8567
 Alpha2 Fr= 1--      0.0023                 0.0096                 0.0000
 Beta2  Fr= 1--      0.2018                 0.0448                 0.1286
 AlphaG Fr= 1--     -0.0051                -0.0344                -0.0010
 Gamma2 Fr= 1--      0.0716                 0.3662                -0.6736
 Delta2 Fr= 1--     -0.2174                 0.0655                 0.1240
 Raman1 Fr= 1--       6.071                  2.990                  3.603
 ROA1   Fr= 1--      -0.080                 37.256                -60.700
 CID1   Fr= 1--      -0.013                 12.458                -16.849
 Raman2 Fr= 1--       2.422                  0.538                  1.543
 ROA2   Fr= 1--       3.458                  8.266                -17.159
 CID2   Fr= 1--       1.428                 15.367                -11.119
 Raman3 Fr= 1--       4.843                  1.076                  3.086
 ROA3   Fr= 1--      -0.080                 37.256                -60.700
 CID3   Fr= 1--      -0.017                 34.633                -19.667
 RC180  Fr= 1--       0.595                 -0.281                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.05  -0.06    -0.11  -0.06   0.05    -0.07  -0.14   0.02
     2   6     0.02   0.13   0.11     0.06  -0.09   0.18    -0.12  -0.05  -0.03
     3   6    -0.07  -0.04   0.00     0.05  -0.08   0.12    -0.12   0.05   0.09
     4   6    -0.07  -0.10  -0.06     0.13  -0.01  -0.16    -0.13   0.04   0.05
     5   8    -0.10   0.12   0.02     0.04   0.03  -0.10     0.21   0.17  -0.11
     6   1    -0.09  -0.13  -0.14    -0.32  -0.22  -0.01    -0.09  -0.20   0.01
     7   1     0.27   0.09  -0.28     0.00   0.09  -0.17    -0.02  -0.31  -0.03
     8   1    -0.29  -0.18   0.12    -0.13   0.01   0.14     0.04   0.33  -0.07
     9   1     0.07  -0.11  -0.25    -0.07  -0.04   0.15    -0.18   0.11   0.46
    10   1    -0.12  -0.12  -0.08     0.13   0.02  -0.17    -0.19   0.07  -0.00
    11   6    -0.14  -0.13  -0.04    -0.05  -0.01   0.01    -0.03  -0.03  -0.01
    12   1    -0.23  -0.20  -0.06    -0.28  -0.17  -0.07     0.08   0.03   0.03
    13   1    -0.17  -0.14   0.01    -0.06   0.05   0.13    -0.08  -0.14  -0.07
    14   1    -0.11  -0.08   0.06    -0.04   0.10   0.19     0.05  -0.09  -0.04
    15   6     0.17   0.02  -0.03    -0.03   0.04  -0.01     0.10  -0.05  -0.00
    16   6     0.09  -0.03   0.09    -0.02   0.14  -0.07     0.07  -0.02   0.03
    17   1     0.04   0.00  -0.15     0.13  -0.00  -0.00     0.14  -0.13  -0.15
    18   1     0.30   0.11  -0.04    -0.10   0.05  -0.02     0.17   0.10  -0.03
    19   1     0.03   0.08   0.06    -0.16   0.43  -0.14     0.15  -0.16   0.06
    20   1     0.15   0.01   0.19    -0.05   0.08   0.26     0.13   0.06  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    521.5544               618.6865               722.9925
 Red. masses --      2.5700                 2.4260                 2.7736
 Frc consts  --      0.4119                 0.5471                 0.8542
 IR Inten    --      0.9538                 0.7989                 1.5092
 RamAct Fr= 1--      1.3274                 5.4766                19.1435
  Dep-P Fr= 1--      0.3425                 0.0580                 0.0272
  Dep-U Fr= 1--      0.5103                 0.1096                 0.0530
 Alpha2 Fr= 1--      0.0119                 0.1061                 0.3991
 Beta2  Fr= 1--      0.1129                 0.1000                 0.1690
 AlphaG Fr= 1--      0.0275                -0.1652                 0.2277
 Gamma2 Fr= 1--      0.4233                -0.3810                -0.3738
 Delta2 Fr= 1--     -0.2934                -0.1156                -0.1852
 Raman1 Fr= 1--       5.309                 21.907                 76.574
 ROA1   Fr= 1--      31.242                -40.269                -41.815
 CID1   Fr= 1--       5.884                 -1.838                 -0.546
 Raman2 Fr= 1--       1.355                  1.200                  2.028
 ROA2   Fr= 1--      12.506                 -8.218                 -7.490
 CID2   Fr= 1--       9.232                 -6.848                 -3.694
 Raman3 Fr= 1--       2.709                  2.400                  4.055
 ROA3   Fr= 1--      31.242                -40.269                -41.815
 CID3   Fr= 1--      11.531                -16.777                -10.312
 RC180  Fr= 1--       0.021                 -0.781                 -0.894
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.03     0.06   0.03   0.06     0.05   0.10  -0.12
     2   6    -0.09  -0.05  -0.10     0.18  -0.09   0.08     0.02  -0.07  -0.04
     3   6     0.03  -0.03  -0.03    -0.02   0.05  -0.05    -0.02  -0.11   0.21
     4   6     0.07  -0.08  -0.05    -0.13   0.08   0.04    -0.08   0.01   0.07
     5   8    -0.01  -0.08   0.05     0.02  -0.12  -0.09     0.05  -0.08  -0.03
     6   1    -0.14   0.17   0.03    -0.36  -0.03  -0.06     0.42   0.20  -0.01
     7   1    -0.05  -0.15  -0.01     0.26   0.31  -0.34    -0.14   0.01   0.23
     8   1     0.16   0.22  -0.17    -0.07   0.04  -0.03    -0.03  -0.23   0.26
     9   1     0.07  -0.00   0.25    -0.11   0.07  -0.03    -0.06  -0.12   0.09
    10   1     0.05  -0.11  -0.05    -0.10   0.02   0.08    -0.15   0.09  -0.00
    11   6    -0.05  -0.05  -0.02    -0.03  -0.01  -0.01    -0.08  -0.05  -0.05
    12   1    -0.19  -0.14  -0.07     0.15   0.04   0.08     0.01   0.01  -0.02
    13   1    -0.05   0.01   0.07    -0.07  -0.16  -0.15    -0.08  -0.09  -0.11
    14   1    -0.06   0.02   0.07     0.04  -0.07  -0.04    -0.08  -0.11  -0.13
    15   6     0.04   0.23   0.07    -0.03   0.06   0.04     0.03   0.13  -0.02
    16   6     0.10  -0.00   0.06    -0.04   0.00   0.04     0.01   0.10  -0.05
    17   1     0.00   0.09  -0.26    -0.06  -0.06  -0.23     0.03   0.30   0.34
    18   1     0.13   0.52   0.02     0.01   0.35  -0.01     0.01  -0.26   0.04
    19   1     0.34  -0.04   0.08     0.14  -0.20   0.09     0.04   0.01  -0.03
    20   1    -0.06  -0.13  -0.14    -0.04   0.05  -0.27    -0.02   0.09  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.0996               828.3444               883.2315
 Red. masses --      2.4096                 1.7213                 1.7372
 Frc consts  --      0.9111                 0.6959                 0.7984
 IR Inten    --      2.5253                 1.0839                 4.6868
 RamAct Fr= 1--      1.9056                 2.6025                 0.7304
  Dep-P Fr= 1--      0.5326                 0.2721                 0.6656
  Dep-U Fr= 1--      0.6950                 0.4278                 0.7992
 Alpha2 Fr= 1--      0.0080                 0.0290                 0.0011
 Beta2  Fr= 1--      0.2207                 0.1856                 0.0973
 AlphaG Fr= 1--      0.0087                -0.0153                -0.0232
 Gamma2 Fr= 1--      1.1636                 0.9117                -0.3023
 Delta2 Fr= 1--      0.2377                -0.6757                -0.0877
 Raman1 Fr= 1--       7.622                 10.410                  2.922
 ROA1   Fr= 1--     119.314                 65.898                -31.823
 CID1   Fr= 1--      15.653                  6.330                -10.892
 Raman2 Fr= 1--       2.649                  2.227                  1.168
 ROA2   Fr= 1--      26.025                 27.286                 -6.553
 CID2   Fr= 1--       9.825                 12.253                 -5.612
 Raman3 Fr= 1--       5.298                  4.454                  2.335
 ROA3   Fr= 1--     119.314                 65.898                -31.823
 CID3   Fr= 1--      22.522                 14.796                -13.628
 RC180  Fr= 1--       0.390                 -0.144                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.13   0.02    -0.07  -0.03  -0.10    -0.05   0.07   0.04
     2   6     0.03   0.07   0.01     0.06   0.00   0.02    -0.00   0.02  -0.09
     3   6     0.21   0.03  -0.01    -0.01   0.07   0.05     0.04  -0.00   0.10
     4   6    -0.05   0.02   0.07     0.03   0.05  -0.09    -0.02   0.06   0.00
     5   8    -0.04   0.03   0.03     0.01  -0.01  -0.02     0.01  -0.03   0.01
     6   1    -0.02  -0.12   0.05     0.32   0.07   0.02    -0.20   0.34   0.02
     7   1    -0.12  -0.21   0.07    -0.30  -0.01   0.27     0.01   0.05  -0.06
     8   1     0.20  -0.23   0.09    -0.24  -0.16   0.20     0.10  -0.20   0.15
     9   1     0.35  -0.05  -0.33    -0.10   0.06  -0.25     0.06  -0.03  -0.11
    10   1     0.02  -0.06   0.14    -0.08  -0.03  -0.12    -0.02   0.27  -0.07
    11   6    -0.09  -0.07  -0.06     0.02   0.02  -0.02    -0.05  -0.01  -0.03
    12   1     0.02   0.02  -0.03    -0.16  -0.15  -0.06     0.06   0.02   0.03
    13   1    -0.05  -0.06  -0.13    -0.07  -0.04   0.07    -0.08  -0.12  -0.12
    14   1    -0.14  -0.13  -0.20     0.11   0.14   0.23     0.02  -0.06  -0.05
    15   6     0.03  -0.01   0.03    -0.05  -0.05   0.03    -0.03  -0.11   0.01
    16   6    -0.05   0.12  -0.04     0.01  -0.03   0.12     0.11  -0.04  -0.02
    17   1     0.30  -0.12  -0.05    -0.18  -0.11  -0.17    -0.10  -0.24  -0.29
    18   1     0.07   0.08   0.01     0.26   0.07   0.01    -0.16   0.25  -0.05
    19   1     0.17  -0.14   0.03     0.29  -0.12   0.15    -0.10   0.25  -0.09
    20   1    -0.04   0.17  -0.37    -0.05  -0.05  -0.16     0.33   0.11   0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --    912.1429               960.1166               976.4474
 Red. masses --      1.8120                 2.3242                 1.5111
 Frc consts  --      0.8883                 1.2623                 0.8489
 IR Inten    --      1.9760                 0.5660                 0.1330
 RamAct Fr= 1--      1.5140                 4.5355                 2.1197
  Dep-P Fr= 1--      0.2329                 0.5725                 0.6740
  Dep-U Fr= 1--      0.3778                 0.7282                 0.8052
 Alpha2 Fr= 1--      0.0188                 0.0152                 0.0029
 Beta2  Fr= 1--      0.0953                 0.5504                 0.2845
 AlphaG Fr= 1--      0.0302                 0.0105                 0.0083
 Gamma2 Fr= 1--     -1.0561                 0.4224                -0.0719
 Delta2 Fr= 1--     -0.4430                -0.0624                -1.2922
 Raman1 Fr= 1--       6.056                 18.142                  8.479
 ROA1   Fr= 1--    -115.564                 38.554                -48.250
 CID1   Fr= 1--     -19.083                  2.125                 -5.691
 Raman2 Fr= 1--       1.144                  6.605                  3.414
 ROA2   Fr= 1--     -21.804                 10.637                  8.612
 CID2   Fr= 1--     -19.061                  1.610                  2.523
 Raman3 Fr= 1--       2.288                 13.210                  6.827
 ROA3   Fr= 1--    -115.564                 38.554                -48.250
 CID3   Fr= 1--     -50.514                  2.919                 -7.067
 RC180  Fr= 1--      -0.244                  0.456                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.05  -0.02    -0.14   0.02   0.02    -0.02   0.08   0.04
     2   6     0.03  -0.01   0.09     0.05  -0.03   0.04    -0.01  -0.00  -0.03
     3   6     0.04  -0.10  -0.10    -0.08   0.19  -0.06    -0.02  -0.04   0.00
     4   6    -0.03   0.03   0.00     0.05  -0.05   0.09    -0.02  -0.03   0.03
     5   8    -0.03   0.01   0.00     0.02  -0.04  -0.04    -0.00  -0.01   0.01
     6   1     0.12  -0.09   0.03    -0.02  -0.02   0.05    -0.12   0.11   0.02
     7   1    -0.27   0.30   0.18    -0.20   0.15   0.09    -0.03   0.37  -0.02
     8   1     0.01   0.31  -0.24    -0.10  -0.13   0.07     0.14   0.01  -0.06
     9   1     0.17  -0.08   0.30    -0.27   0.21  -0.28    -0.04  -0.03   0.10
    10   1     0.17   0.05   0.13     0.04  -0.00   0.07    -0.26  -0.29  -0.03
    11   6    -0.05   0.03  -0.00    -0.02  -0.11   0.01     0.07  -0.02  -0.01
    12   1     0.23   0.05   0.17    -0.05   0.11  -0.11    -0.29  -0.17  -0.18
    13   1    -0.15  -0.26  -0.24     0.19   0.25   0.11     0.08   0.19   0.28
    14   1     0.15  -0.06   0.01    -0.32  -0.17  -0.32    -0.06   0.15   0.15
    15   6    -0.01  -0.03  -0.07     0.04   0.04  -0.06     0.01  -0.10  -0.06
    16   6     0.11   0.00   0.05     0.11  -0.03  -0.00     0.02   0.11   0.01
    17   1    -0.04   0.06   0.10     0.16   0.12   0.18     0.15  -0.13  -0.03
    18   1     0.08  -0.23  -0.03    -0.08  -0.20  -0.02     0.00  -0.08  -0.06
    19   1     0.08  -0.01   0.05    -0.11   0.03  -0.02     0.10  -0.20   0.08
    20   1     0.17   0.06   0.05     0.15  -0.03   0.22     0.17   0.29  -0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    989.3570              1028.4673              1063.1149
 Red. masses --      1.7605                 1.7996                 1.7636
 Frc consts  --      1.0153                 1.1215                 1.1744
 IR Inten    --      7.4907                 2.2655                 2.3773
 RamAct Fr= 1--      1.7086                 1.4071                 6.3102
  Dep-P Fr= 1--      0.7494                 0.7346                 0.7281
  Dep-U Fr= 1--      0.8568                 0.8470                 0.8427
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0024
 Beta2  Fr= 1--      0.2440                 0.1986                 0.8862
 AlphaG Fr= 1--     -0.0029                 0.0063                -0.0251
 Gamma2 Fr= 1--     -0.7664                -0.0486                 1.9474
 Delta2 Fr= 1--     -1.0405                -0.3024                 0.0133
 Raman1 Fr= 1--       6.834                  5.629                 25.241
 ROA1   Fr= 1--    -106.874                -14.341                187.377
 CID1   Fr= 1--     -15.638                 -2.548                  7.424
 Raman2 Fr= 1--       2.928                  2.384                 10.635
 ROA2   Fr= 1--     -10.070                  1.253                 46.631
 CID2   Fr= 1--      -3.440                  0.525                  4.385
 Raman3 Fr= 1--       5.855                  4.767                 21.270
 ROA3   Fr= 1--    -106.874                -14.341                187.377
 CID3   Fr= 1--     -18.252                 -3.008                  8.810
 RC180  Fr= 1--       0.714                  0.694                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.06     0.10   0.01  -0.04    -0.04   0.08   0.03
     2   6     0.06   0.03   0.01    -0.07  -0.03   0.02    -0.01  -0.00  -0.03
     3   6    -0.06  -0.03  -0.01    -0.02  -0.02  -0.01    -0.02   0.00   0.02
     4   6    -0.06  -0.11  -0.03     0.13   0.05   0.01     0.10   0.03  -0.00
     5   8    -0.01  -0.01  -0.00    -0.01   0.04   0.01    -0.00  -0.00   0.01
     6   1     0.12   0.25  -0.00     0.09  -0.12  -0.04    -0.09   0.28   0.03
     7   1    -0.13   0.01   0.10     0.05   0.19  -0.00    -0.06   0.25   0.02
     8   1    -0.35   0.18  -0.01     0.24  -0.03  -0.08    -0.03  -0.01   0.03
     9   1     0.15  -0.08   0.09    -0.32   0.08   0.12    -0.24   0.06   0.05
    10   1     0.03   0.04  -0.03     0.31   0.18   0.09     0.24   0.05   0.08
    11   6     0.04   0.01   0.12    -0.06  -0.10  -0.00    -0.05   0.01  -0.04
    12   1     0.21   0.26   0.11     0.03   0.11  -0.05     0.06  -0.03   0.05
    13   1     0.23   0.21   0.05     0.10   0.09  -0.06    -0.13  -0.18  -0.17
    14   1    -0.14  -0.12  -0.23    -0.24  -0.21  -0.33     0.09  -0.03   0.01
    15   6     0.03  -0.05   0.08    -0.09  -0.07   0.02     0.14  -0.06   0.01
    16   6    -0.02   0.06  -0.08    -0.01   0.08   0.03    -0.13  -0.04  -0.01
    17   1     0.15  -0.22  -0.22    -0.32  -0.09  -0.16     0.49  -0.17  -0.01
    18   1     0.20   0.25   0.03     0.16   0.08   0.00     0.28  -0.03   0.01
    19   1     0.17   0.24  -0.10     0.29   0.09   0.04    -0.14  -0.17   0.02
    20   1    -0.04   0.04  -0.05    -0.05   0.06  -0.16    -0.32  -0.23  -0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1114.3758              1141.9120              1154.8234
 Red. masses --      1.5765                 1.9878                 1.6356
 Frc consts  --      1.1535                 1.5272                 1.2852
 IR Inten    --      5.7519                 0.7543                18.9675
 RamAct Fr= 1--      2.4126                 3.0918                 2.2499
  Dep-P Fr= 1--      0.6357                 0.3797                 0.7206
  Dep-U Fr= 1--      0.7773                 0.5504                 0.8376
 Alpha2 Fr= 1--      0.0050                 0.0246                 0.0011
 Beta2  Fr= 1--      0.3126                 0.2836                 0.3141
 AlphaG Fr= 1--     -0.0161                -0.0245                -0.0036
 Gamma2 Fr= 1--     -1.5768                 0.3690                -0.3630
 Delta2 Fr= 1--     -1.4214                 0.5448                -1.8517
 Raman1 Fr= 1--       9.651                 12.367                  9.000
 ROA1   Fr= 1--    -196.858                 52.862                -94.098
 CID1   Fr= 1--     -20.399                  4.274                -10.456
 Raman2 Fr= 1--       3.751                  3.403                  3.769
 ROA2   Fr= 1--     -26.472                  4.498                  6.103
 CID2   Fr= 1--      -7.058                  1.322                  1.619
 Raman3 Fr= 1--       7.501                  6.807                  7.538
 ROA3   Fr= 1--    -196.858                 52.862                -94.098
 CID3   Fr= 1--     -26.243                  7.766                -12.482
 RC180  Fr= 1--       0.555                  0.101                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.02    -0.01   0.01  -0.11     0.02  -0.09  -0.02
     2   6    -0.04  -0.04   0.03     0.06  -0.01   0.12     0.07   0.07  -0.05
     3   6     0.07  -0.01  -0.01    -0.01  -0.06  -0.08    -0.09  -0.01  -0.00
     4   6    -0.10   0.07  -0.06     0.01   0.10   0.09     0.02  -0.02   0.11
     5   8     0.00  -0.00  -0.00    -0.03   0.03  -0.00    -0.01   0.00   0.01
     6   1     0.03  -0.24   0.02     0.17   0.34  -0.03     0.09  -0.22  -0.01
     7   1    -0.08   0.24   0.04    -0.08  -0.36   0.11    -0.07   0.39   0.01
     8   1     0.45  -0.15  -0.07     0.18   0.07  -0.18     0.23  -0.02  -0.08
     9   1     0.05  -0.01  -0.06    -0.18   0.02   0.22     0.15  -0.06   0.10
    10   1    -0.23   0.27  -0.22    -0.04   0.01   0.10    -0.15   0.26  -0.11
    11   6     0.05  -0.03   0.03     0.03  -0.05  -0.07     0.00   0.01  -0.06
    12   1    -0.06   0.08  -0.08    -0.25  -0.17  -0.19    -0.11  -0.15  -0.05
    13   1     0.15   0.20   0.15     0.00   0.07   0.17    -0.11  -0.08   0.04
    14   1    -0.13   0.02  -0.05    -0.09   0.09   0.07     0.08   0.08   0.12
    15   6     0.08   0.01   0.02     0.03   0.01   0.10    -0.08   0.02   0.03
    16   6    -0.05  -0.09  -0.02    -0.02  -0.05  -0.07     0.06   0.02  -0.03
    17   1    -0.12   0.06   0.00     0.02  -0.09  -0.12     0.33  -0.12  -0.03
    18   1     0.43  -0.09   0.04    -0.16   0.26   0.05     0.02   0.06   0.03
    19   1     0.03   0.19  -0.07    -0.31  -0.08  -0.07     0.13   0.24  -0.06
    20   1    -0.08  -0.13   0.10     0.14   0.07   0.14    -0.31  -0.34   0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1197.3847              1238.5635              1252.4262
 Red. masses --      1.8618                 1.4945                 1.4973
 Frc consts  --      1.5728                 1.3508                 1.3837
 IR Inten    --     16.1840                 6.2650                19.4963
 RamAct Fr= 1--      4.2107                 1.0772                 4.8106
  Dep-P Fr= 1--      0.7438                 0.2206                 0.5067
  Dep-U Fr= 1--      0.8531                 0.3615                 0.6726
 Alpha2 Fr= 1--      0.0004                 0.0138                 0.0230
 Beta2  Fr= 1--      0.5987                 0.0649                 0.5393
 AlphaG Fr= 1--      0.0182                 0.0704                 0.0561
 Gamma2 Fr= 1--      5.0738                 0.8398                 1.7011
 Delta2 Fr= 1--      1.2022                 0.5536                -0.1891
 Raman1 Fr= 1--      16.843                  4.309                 19.242
 ROA1   Fr= 1--     525.558                 98.334                157.252
 CID1   Fr= 1--      31.204                 22.822                  8.172
 Raman2 Fr= 1--       7.184                  0.779                  6.472
 ROA2   Fr= 1--     112.155                 15.727                 42.339
 CID2   Fr= 1--      15.611                 20.195                  6.542
 Raman3 Fr= 1--      14.369                  1.557                 12.943
 ROA3   Fr= 1--     525.558                 98.334                157.252
 CID3   Fr= 1--      36.577                 63.137                 12.150
 RC180  Fr= 1--       0.706                 -0.277                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.05    -0.05   0.05   0.07     0.04   0.01  -0.01
     2   6     0.08   0.08  -0.07     0.06   0.05  -0.06    -0.13  -0.10   0.05
     3   6    -0.03  -0.09   0.01    -0.03  -0.01   0.00     0.00   0.04  -0.02
     4   6     0.02   0.14  -0.04     0.03  -0.01   0.10     0.00   0.04   0.06
     5   8    -0.01  -0.02   0.01     0.00  -0.03  -0.00     0.04  -0.00  -0.02
     6   1    -0.11   0.05   0.03    -0.05  -0.35   0.04    -0.01   0.15  -0.02
     7   1     0.07  -0.19  -0.06     0.05  -0.26  -0.03    -0.02   0.26   0.02
     8   1    -0.32   0.22  -0.03    -0.27   0.10   0.03    -0.40   0.15   0.05
     9   1     0.21  -0.13   0.15    -0.00  -0.01   0.07     0.67  -0.16  -0.22
    10   1    -0.00   0.47  -0.18     0.13   0.08   0.13     0.19   0.14   0.14
    11   6     0.02  -0.09   0.02     0.01   0.00  -0.06     0.02  -0.03  -0.04
    12   1    -0.11   0.08  -0.15    -0.11  -0.16  -0.06    -0.13  -0.09  -0.11
    13   1     0.17   0.20   0.11    -0.08  -0.06   0.05    -0.00   0.03   0.09
    14   1    -0.24  -0.07  -0.17     0.04   0.07   0.08    -0.04   0.06   0.04
    15   6    -0.01   0.01  -0.06     0.02  -0.02   0.01     0.01  -0.01   0.02
    16   6    -0.02  -0.01   0.10    -0.04  -0.00  -0.07     0.01   0.01  -0.02
    17   1     0.12   0.05   0.10    -0.45   0.09  -0.05    -0.08  -0.01  -0.02
    18   1    -0.11  -0.14  -0.04     0.50  -0.12   0.03     0.03   0.05   0.01
    19   1    -0.07  -0.23   0.14     0.07   0.18  -0.10    -0.06  -0.03  -0.01
    20   1    -0.09  -0.06  -0.04     0.12   0.15  -0.03    -0.09  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.6638              1307.5422              1343.8657
 Red. masses --      1.3477                 1.4455                 1.4351
 Frc consts  --      1.2942                 1.4561                 1.5270
 IR Inten    --      4.8543                 6.7854                 1.4483
 RamAct Fr= 1--      3.1150                 3.9551                 2.0153
  Dep-P Fr= 1--      0.5195                 0.6954                 0.5678
  Dep-U Fr= 1--      0.6838                 0.8203                 0.7243
 Alpha2 Fr= 1--      0.0140                 0.0038                 0.0069
 Beta2  Fr= 1--      0.3550                 0.5408                 0.2433
 AlphaG Fr= 1--     -0.0086                -0.0185                -0.0131
 Gamma2 Fr= 1--      0.9813                -1.0763                 0.5872
 Delta2 Fr= 1--      0.2984                -0.4943                 0.1370
 Raman1 Fr= 1--      12.460                 15.820                  8.061
 ROA1   Fr= 1--     103.758               -119.146                 60.755
 CID1   Fr= 1--       8.327                 -7.531                  7.537
 Raman2 Fr= 1--       4.260                  6.489                  2.919
 ROA2   Fr= 1--      21.165                -21.878                 12.997
 CID2   Fr= 1--       4.968                 -3.372                  4.452
 Raman3 Fr= 1--       8.520                 12.978                  5.839
 ROA3   Fr= 1--     103.758               -119.146                 60.755
 CID3   Fr= 1--      12.178                 -9.181                 10.405
 RC180  Fr= 1--       0.368                  0.641                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.02    -0.03   0.01  -0.02     0.01  -0.13   0.01
     2   6    -0.03   0.03  -0.08     0.03   0.01   0.01     0.01   0.01  -0.01
     3   6     0.06  -0.04   0.02    -0.13   0.03   0.02    -0.01   0.00   0.01
     4   6    -0.01   0.05  -0.02     0.10  -0.04  -0.04    -0.03  -0.07  -0.01
     5   8     0.00  -0.00   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   1     0.13  -0.46  -0.02     0.09  -0.21   0.00    -0.04   0.47   0.03
     7   1    -0.11   0.49   0.03    -0.05   0.05   0.02    -0.03   0.31  -0.04
     8   1    -0.33   0.12   0.07     0.37  -0.10  -0.07     0.09  -0.05  -0.00
     9   1    -0.23   0.04   0.01     0.46  -0.13  -0.03    -0.11   0.03   0.04
    10   1     0.07  -0.18   0.11    -0.05   0.13  -0.20     0.36   0.36   0.09
    11   6     0.01  -0.01   0.01    -0.03   0.01   0.01     0.02   0.01  -0.03
    12   1    -0.03   0.02  -0.03     0.08   0.03   0.07    -0.01  -0.07  -0.01
    13   1     0.03   0.02   0.01     0.01  -0.01  -0.10    -0.01   0.03   0.09
    14   1    -0.05  -0.01  -0.04     0.09  -0.07  -0.03     0.06   0.07   0.10
    15   6    -0.00   0.04   0.09     0.04   0.01   0.05     0.01   0.07  -0.02
    16   6     0.00  -0.05  -0.03    -0.05   0.01   0.00    -0.07  -0.06   0.02
    17   1     0.13  -0.04  -0.02    -0.13   0.02  -0.02    -0.03   0.13   0.08
    18   1    -0.07   0.17   0.07    -0.06   0.12   0.04     0.08  -0.08   0.01
    19   1    -0.26  -0.16  -0.02    -0.28  -0.36   0.06     0.12   0.13  -0.01
    20   1     0.25   0.17   0.06     0.27   0.31  -0.07     0.34   0.35  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1346.4949              1373.4657              1377.0396
 Red. masses --      1.3480                 1.4145                 1.3904
 Frc consts  --      1.4399                 1.5721                 1.5534
 IR Inten    --      6.6765                 4.4183                 1.5841
 RamAct Fr= 1--      1.7217                 0.9669                 3.3673
  Dep-P Fr= 1--      0.7316                 0.6911                 0.7462
  Dep-U Fr= 1--      0.8450                 0.8173                 0.8547
 Alpha2 Fr= 1--      0.0005                 0.0010                 0.0002
 Beta2  Fr= 1--      0.2425                 0.1317                 0.4797
 AlphaG Fr= 1--      0.0049                 0.0227                 0.0017
 Gamma2 Fr= 1--      1.2417                -1.0455                 2.8622
 Delta2 Fr= 1--      0.3384                -0.2680                 1.6772
 Raman1 Fr= 1--       6.887                  3.868                 13.469
 ROA1   Fr= 1--     130.028               -108.948                328.438
 CID1   Fr= 1--      18.881                -28.170                 24.384
 Raman2 Fr= 1--       2.910                  1.581                  5.756
 ROA2   Fr= 1--      27.093                -22.949                 55.274
 CID2   Fr= 1--       9.312                -14.520                  9.603
 Raman3 Fr= 1--       5.819                  3.161                 11.512
 ROA3   Fr= 1--     130.028               -108.948                328.438
 CID3   Fr= 1--      22.344                -34.466                 28.531
 RC180  Fr= 1--       0.690                  0.635                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.12  -0.03     0.04   0.01   0.00     0.00   0.01   0.01
     2   6    -0.03  -0.02   0.02    -0.04  -0.03   0.03     0.03   0.02  -0.01
     3   6     0.02   0.02  -0.01     0.03   0.00  -0.03    -0.09   0.01   0.05
     4   6    -0.05  -0.06  -0.00     0.05  -0.01   0.02    -0.05   0.07  -0.08
     5   8     0.01  -0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.00
     6   1     0.10  -0.42  -0.04    -0.07   0.13  -0.02    -0.01  -0.00   0.01
     7   1     0.03  -0.26   0.02     0.07  -0.15   0.01     0.05  -0.12  -0.03
     8   1     0.00  -0.03   0.01    -0.11   0.07  -0.01     0.28  -0.12   0.00
     9   1    -0.03   0.03  -0.03    -0.01   0.01  -0.05     0.23  -0.08   0.03
    10   1     0.30   0.41   0.05    -0.30   0.07  -0.24     0.46  -0.44   0.45
    11   6     0.02   0.00  -0.03    -0.02   0.01   0.01     0.02  -0.03  -0.00
    12   1    -0.01  -0.05  -0.02     0.03  -0.00   0.05    -0.01   0.09  -0.07
    13   1    -0.00   0.04   0.10    -0.01  -0.02  -0.05     0.07   0.08   0.04
    14   1     0.04   0.08   0.10     0.03  -0.06  -0.04    -0.05   0.05   0.06
    15   6    -0.03  -0.02  -0.01    -0.15   0.04  -0.00    -0.07   0.02  -0.01
    16   6    -0.04  -0.02   0.05     0.01  -0.03  -0.02     0.04  -0.03  -0.01
    17   1     0.47  -0.13   0.04     0.43  -0.10   0.04     0.22  -0.06  -0.00
    18   1    -0.27   0.12  -0.03     0.62  -0.11   0.04     0.28  -0.10   0.02
    19   1     0.20   0.09   0.04    -0.14  -0.12  -0.01    -0.07   0.03  -0.03
    20   1     0.12   0.14  -0.04     0.26   0.19   0.05     0.03  -0.04   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1387.6987              1417.5781              1449.7409
 Red. masses --      1.4461                 1.2303                 1.0810
 Frc consts  --      1.6407                 1.4567                 1.3386
 IR Inten    --      2.1634                 5.2225                 7.9061
 RamAct Fr= 1--      2.2111                 0.1288                 6.6455
  Dep-P Fr= 1--      0.7086                 0.7048                 0.7118
  Dep-U Fr= 1--      0.8294                 0.8268                 0.8317
 Alpha2 Fr= 1--      0.0016                 0.0001                 0.0044
 Beta2  Fr= 1--      0.3057                 0.0178                 0.9211
 AlphaG Fr= 1--     -0.0053                -0.0015                -0.0236
 Gamma2 Fr= 1--      0.9637                -0.1024                 1.0440
 Delta2 Fr= 1--     -0.4493                -0.0690                -0.4304
 Raman1 Fr= 1--       8.845                  0.515                 26.582
 ROA1   Fr= 1--      78.140                -12.037                 86.449
 CID1   Fr= 1--       8.835                -23.360                  3.252
 Raman2 Fr= 1--       3.668                  0.213                 11.054
 ROA2   Fr= 1--      26.724                 -1.905                 28.499
 CID2   Fr= 1--       7.286                 -8.944                  2.578
 Raman3 Fr= 1--       7.336                  0.426                 22.107
 ROA3   Fr= 1--      78.140                -12.037                 86.449
 CID3   Fr= 1--      10.652                -28.253                  3.910
 RC180  Fr= 1--       0.659                  0.654                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00   0.03
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     3   6    -0.03  -0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00   0.00
     4   6     0.09   0.09   0.04     0.01   0.00   0.01    -0.00  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   1     0.07   0.01   0.01    -0.02  -0.01  -0.00     0.67   0.09   0.21
     7   1     0.02   0.04  -0.05    -0.01   0.01   0.01     0.33   0.05  -0.60
     8   1    -0.05   0.10  -0.04    -0.06  -0.02   0.02    -0.01   0.03  -0.01
     9   1     0.20  -0.08  -0.04    -0.03   0.01   0.06    -0.02   0.00  -0.04
    10   1    -0.29  -0.38  -0.04    -0.05   0.01  -0.03    -0.00   0.03  -0.01
    11   6    -0.04  -0.02   0.01    -0.09  -0.07  -0.08    -0.00  -0.00  -0.00
    12   1     0.05   0.09   0.01     0.50   0.23   0.18     0.01   0.00   0.01
    13   1     0.05   0.04  -0.08     0.16   0.47   0.27    -0.00   0.01   0.01
    14   1     0.02  -0.04   0.02     0.27   0.12   0.46     0.00   0.00   0.01
    15   6     0.02   0.02  -0.02     0.00  -0.01   0.01    -0.01  -0.00   0.01
    16   6    -0.09  -0.10   0.01     0.01   0.02  -0.01     0.01   0.01  -0.01
    17   1     0.16   0.00   0.02    -0.06  -0.00  -0.02     0.01  -0.04  -0.05
    18   1    -0.22  -0.03  -0.02     0.02  -0.00   0.00     0.01  -0.06   0.01
    19   1     0.51   0.47  -0.07    -0.07  -0.03  -0.01     0.02  -0.09   0.02
    20   1     0.21   0.18  -0.00    -0.05  -0.04  -0.01    -0.01  -0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1473.8154              1496.5326              1499.3447
 Red. masses --      1.0956                 1.0650                 1.0590
 Frc consts  --      1.4022                 1.4053                 1.4026
 IR Inten    --     10.7242                 1.9161                 3.7228
 RamAct Fr= 1--      5.4965                 2.5369                 5.7137
  Dep-P Fr= 1--      0.7486                 0.7435                 0.7469
  Dep-U Fr= 1--      0.8562                 0.8529                 0.8551
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0003
 Beta2  Fr= 1--      0.7844                 0.3606                 0.8143
 AlphaG Fr= 1--     -0.0074                -0.0049                -0.0008
 Gamma2 Fr= 1--     -0.6946                -2.7580                 2.1201
 Delta2 Fr= 1--      0.0825                -2.2058                 1.0212
 Raman1 Fr= 1--      21.986                 10.148                 22.855
 ROA1   Fr= 1--     -64.039               -335.356                236.207
 CID1   Fr= 1--      -2.913                -33.048                 10.335
 Raman2 Fr= 1--       9.413                  4.327                  9.772
 ROA2   Fr= 1--     -17.329                -48.546                 42.713
 CID2   Fr= 1--      -1.841                -11.219                  4.371
 Raman3 Fr= 1--      18.825                  8.654                 19.544
 ROA3   Fr= 1--     -64.039               -335.356                236.207
 CID3   Fr= 1--      -3.402                -38.749                 12.086
 RC180  Fr= 1--       0.712                  0.706                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     3   6     0.01   0.04  -0.07    -0.01   0.00   0.00     0.00   0.01  -0.01
     4   6     0.00   0.01  -0.00     0.02   0.01  -0.01     0.02  -0.03   0.02
     5   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   1     0.02  -0.01   0.01     0.04  -0.01   0.01     0.04  -0.01   0.01
     7   1     0.01   0.03  -0.02     0.02   0.00  -0.03     0.01   0.00  -0.03
     8   1    -0.20  -0.58   0.26     0.00  -0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.17   0.07   0.65     0.04  -0.01   0.00     0.00   0.01   0.03
    10   1    -0.03  -0.01  -0.02    -0.03  -0.04  -0.03    -0.04   0.05  -0.05
    11   6    -0.00   0.01   0.01     0.01   0.02  -0.03     0.02  -0.04   0.02
    12   1    -0.08  -0.06  -0.01     0.27  -0.21   0.26    -0.05   0.53  -0.29
    13   1     0.05   0.03  -0.06    -0.28  -0.09   0.43    -0.01  -0.24  -0.28
    14   1     0.08  -0.07  -0.05    -0.25   0.01  -0.23    -0.23   0.31   0.32
    15   6     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    16   6    -0.01  -0.01   0.00     0.02  -0.03   0.04     0.02  -0.01   0.02
    17   1     0.02  -0.07  -0.15     0.02  -0.07  -0.13    -0.00  -0.02  -0.04
    18   1    -0.05  -0.15   0.03    -0.05  -0.13   0.03    -0.01  -0.03   0.01
    19   1     0.01   0.01   0.00    -0.31   0.30  -0.06    -0.26   0.21  -0.05
    20   1     0.02   0.01  -0.00    -0.03   0.01  -0.43    -0.01   0.02  -0.34
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1503.6092              1507.2284              1786.0361
 Red. masses --      1.0565                 1.0880                11.4787
 Frc consts  --      1.4074                 1.4562                21.5737
 IR Inten    --     10.4819                 4.6270               214.6699
 RamAct Fr= 1--      4.3538                 4.1198                19.9794
  Dep-P Fr= 1--      0.7460                 0.5649                 0.5383
  Dep-U Fr= 1--      0.8546                 0.7220                 0.6998
 Alpha2 Fr= 1--      0.0003                 0.0144                 0.0815
 Beta2  Fr= 1--      0.6201                 0.4957                 2.3304
 AlphaG Fr= 1--      0.0038                 0.0057                 0.0482
 Gamma2 Fr= 1--      1.4007                -1.1361                 3.5147
 Delta2 Fr= 1--      0.4578                -0.2877                -1.2070
 Raman1 Fr= 1--      17.415                 16.479                 79.917
 ROA1   Fr= 1--     149.112               -118.269                298.785
 CID1   Fr= 1--       8.562                 -7.177                  3.739
 Raman2 Fr= 1--       7.441                  5.949                 27.965
 ROA2   Fr= 1--      29.953                -24.965                 94.008
 CID2   Fr= 1--       4.025                 -4.196                  3.362
 Raman3 Fr= 1--      14.882                 11.898                 55.930
 ROA3   Fr= 1--     149.112               -118.269                298.785
 CID3   Fr= 1--      10.019                 -9.940                  5.342
 RC180  Fr= 1--       0.709                  0.444                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02  -0.05  -0.02
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.35   0.62   0.31
     3   6     0.00  -0.01   0.01     0.00   0.01  -0.02     0.02  -0.04  -0.03
     4   6    -0.01   0.00   0.01     0.00   0.01  -0.00     0.01  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.23  -0.40  -0.20
     6   1     0.04  -0.00   0.01     0.07   0.01   0.02     0.01   0.19   0.01
     7   1     0.02  -0.01  -0.03     0.03   0.01  -0.07     0.00   0.04  -0.00
     8   1     0.01   0.10  -0.04    -0.04  -0.14   0.06     0.15  -0.03  -0.04
     9   1    -0.03  -0.01  -0.10     0.04   0.01   0.15    -0.21   0.08   0.14
    10   1     0.03   0.03   0.04    -0.02  -0.04  -0.00    -0.01   0.01  -0.03
    11   6    -0.03   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.27  -0.21  -0.05     0.02  -0.03   0.03    -0.01   0.02  -0.01
    13   1     0.31   0.27  -0.26    -0.02   0.00   0.04    -0.00  -0.02  -0.03
    14   1     0.46  -0.27  -0.04    -0.02  -0.02  -0.04     0.00   0.00   0.00
    15   6     0.00   0.00   0.01    -0.01  -0.07  -0.04    -0.00  -0.01  -0.00
    16   6     0.03  -0.02   0.03     0.01  -0.02   0.01    -0.00   0.00   0.00
    17   1     0.00  -0.03  -0.05     0.02   0.25   0.61    -0.01  -0.01   0.02
    18   1    -0.02  -0.04   0.01     0.16   0.64  -0.12     0.00   0.02  -0.01
    19   1    -0.29   0.28  -0.06    -0.09   0.12  -0.03     0.00   0.01   0.00
    20   1    -0.06  -0.02  -0.39    -0.01  -0.02  -0.13    -0.00  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3005.3964              3015.4558              3025.4316
 Red. masses --      1.0720                 1.0713                 1.0367
 Frc consts  --      5.7047                 5.7392                 5.5907
 IR Inten    --     11.0776                 8.2867                19.7793
 RamAct Fr= 1--    116.0343                38.3973               233.2294
  Dep-P Fr= 1--      0.1526                 0.5181                 0.0042
  Dep-U Fr= 1--      0.2647                 0.6826                 0.0084
 Alpha2 Fr= 1--      1.7822                 0.1738                 5.1320
 Beta2  Fr= 1--      5.1196                 4.3681                 0.3272
 AlphaG Fr= 1--      1.3867                -0.9322                -1.0070
 Gamma2 Fr= 1--     24.2254                12.9322                -0.7042
 Delta2 Fr= 1--     11.2332                 6.2543                -1.4976
 Raman1 Fr= 1--     464.137                153.589                932.918
 ROA1   Fr= 1--    2685.101               1441.625               -115.526
 CID1   Fr= 1--       5.785                  9.386                 -0.124
 Raman2 Fr= 1--      61.435                 52.418                  3.926
 ROA2   Fr= 1--     491.544                260.338                 -4.921
 CID2   Fr= 1--       8.001                  4.967                 -1.253
 Raman3 Fr= 1--     122.871                104.835                  7.852
 ROA3   Fr= 1--    2685.101               1441.625               -115.526
 CID3   Fr= 1--      21.853                 13.751                -14.712
 RC180  Fr= 1--      -0.471                  0.365                 -0.983
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.00   0.00   0.01
     4   6    -0.01   0.01   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   1    -0.00   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
     7   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.03   0.00   0.02
     8   1     0.05   0.08   0.18     0.17   0.25   0.59    -0.05  -0.06  -0.16
     9   1    -0.02  -0.06   0.00    -0.05  -0.18   0.01     0.01   0.03  -0.00
    10   1     0.17  -0.09  -0.26     0.30  -0.16  -0.45    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.01  -0.02    -0.10   0.07   0.14    -0.32   0.22   0.47
    13   1    -0.05   0.04  -0.02     0.06  -0.04   0.02     0.42  -0.32   0.19
    14   1    -0.01  -0.03   0.02     0.02   0.04  -0.03     0.20   0.39  -0.27
    15   6    -0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00  -0.07     0.01  -0.01   0.02    -0.00  -0.00  -0.01
    17   1    -0.00   0.00   0.00    -0.01  -0.03   0.02    -0.00   0.00  -0.00
    18   1     0.01  -0.04  -0.27    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    19   1    -0.06   0.18   0.84     0.03  -0.07  -0.32    -0.01   0.02   0.11
    20   1     0.12  -0.13  -0.04    -0.15   0.15   0.03     0.01  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3026.5859              3030.4155              3036.3373
 Red. masses --      1.0693                 1.0712                 1.0634
 Frc consts  --      5.7713                 5.7957                 5.7762
 IR Inten    --      9.0982                40.8434                21.9400
 RamAct Fr= 1--     21.1134                91.7793               255.0531
  Dep-P Fr= 1--      0.7214                 0.4563                 0.0675
  Dep-U Fr= 1--      0.8381                 0.6266                 0.1264
 Alpha2 Fr= 1--      0.0104                 0.5485                 4.8319
 Beta2  Fr= 1--      2.9494                 9.5851                 5.3739
 AlphaG Fr= 1--      0.0898                 0.2197                 1.3781
 Gamma2 Fr= 1--    -14.0000               -12.5028                18.3955
 Delta2 Fr= 1--     -8.0273                 0.8644                -7.0228
 Raman1 Fr= 1--      84.454                367.117               1020.212
 ROA1   Fr= 1--   -1600.880              -1172.609               1541.240
 CID1   Fr= 1--     -18.956                 -3.194                  1.511
 Raman2 Fr= 1--      35.392                115.022                 64.487
 ROA2   Fr= 1--    -271.782               -306.983                497.674
 CID2   Fr= 1--      -7.679                 -2.669                  7.717
 Raman3 Fr= 1--      70.785                230.043                128.973
 ROA3   Fr= 1--   -1600.880              -1172.609               1541.240
 CID3   Fr= 1--     -22.616                 -5.097                 11.950
 RC180  Fr= 1--       0.676                  0.253                 -0.747
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01     0.03   0.00   0.00    -0.06  -0.01   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.02    -0.01  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6    -0.02   0.01   0.03     0.02  -0.01  -0.04     0.00  -0.00  -0.01
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   1    -0.00   0.00   0.02    -0.03  -0.01   0.14     0.12   0.03  -0.50
     7   1    -0.23  -0.04  -0.14    -0.28  -0.04  -0.18     0.61   0.09   0.39
     8   1    -0.06  -0.09  -0.21     0.14   0.21   0.50     0.05   0.07   0.17
     9   1     0.02   0.06  -0.00    -0.05  -0.18   0.01    -0.02  -0.06   0.00
    10   1     0.21  -0.12  -0.32    -0.29   0.16   0.44    -0.05   0.03   0.08
    11   6     0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.02   0.02   0.03     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    13   1    -0.04   0.03  -0.02     0.07  -0.06   0.04     0.00  -0.00   0.00
    14   1    -0.02  -0.04   0.02     0.04   0.09  -0.06     0.01   0.01  -0.01
    15   6    -0.01  -0.03  -0.05    -0.00  -0.02  -0.01    -0.00  -0.01  -0.03
    16   6    -0.00   0.00  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    17   1     0.08   0.28  -0.16     0.05   0.17  -0.09     0.01   0.05  -0.03
    18   1    -0.02   0.10   0.74    -0.01   0.03   0.25    -0.01   0.05   0.34
    19   1    -0.01   0.03   0.12    -0.01   0.03   0.11    -0.01   0.01   0.05
    20   1     0.05  -0.06  -0.01     0.18  -0.19  -0.03     0.09  -0.10  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3065.3812              3070.1413              3081.2224
 Red. masses --      1.0992                 1.0927                 1.0999
 Frc consts  --      6.0856                 6.0682                 6.1525
 IR Inten    --     14.3802                42.2272                27.3365
 RamAct Fr= 1--     89.2333               177.5491                87.6025
  Dep-P Fr= 1--      0.6859                 0.1601                 0.4919
  Dep-U Fr= 1--      0.8137                 0.2761                 0.6595
 Alpha2 Fr= 1--      0.1006                 2.6748                 0.4490
 Beta2  Fr= 1--     12.1011                 8.1690                 9.6283
 AlphaG Fr= 1--      0.0098                 0.3259                -0.6800
 Gamma2 Fr= 1--     76.7601               -48.9999               -39.5658
 Delta2 Fr= 1--     37.4623               -26.1016               -29.2597
 Raman1 Fr= 1--     356.933                710.196                350.410
 ROA1   Fr= 1--    8567.762              -5539.240              -4734.625
 CID1   Fr= 1--      24.004                 -7.800                -13.512
 Raman2 Fr= 1--     145.213                 98.028                115.539
 ROA2   Fr= 1--    1542.544               -967.185               -715.501
 CID2   Fr= 1--      10.623                 -9.866                 -6.193
 Raman3 Fr= 1--     290.425                196.055                231.078
 ROA3   Fr= 1--    8567.762              -5539.240              -4734.625
 CID3   Fr= 1--      29.501                -28.253                -20.489
 RC180  Fr= 1--       0.627                 -0.448                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.05    -0.01  -0.00  -0.01    -0.01   0.00  -0.07
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.11  -0.03   0.40    -0.03  -0.01   0.12    -0.19  -0.05   0.70
     7   1     0.29   0.04   0.17     0.11   0.02   0.07     0.32   0.05   0.18
     8   1    -0.01  -0.01  -0.03     0.01   0.01   0.04     0.00   0.01   0.02
     9   1     0.01   0.02  -0.00    -0.00  -0.00  -0.00    -0.01  -0.05   0.01
    10   1     0.05  -0.02  -0.07    -0.09   0.05   0.13    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    12   1    -0.03   0.02   0.04     0.08  -0.06  -0.12     0.02  -0.01  -0.02
    13   1    -0.02   0.01  -0.01     0.06  -0.05   0.03    -0.01   0.00  -0.00
    14   1    -0.02  -0.03   0.02     0.03   0.07  -0.04     0.02   0.04  -0.03
    15   6    -0.01  -0.05   0.05    -0.01  -0.03   0.01     0.01   0.03  -0.04
    16   6    -0.02   0.02   0.02     0.05  -0.05  -0.03     0.00  -0.00  -0.01
    17   1     0.17   0.61  -0.30     0.09   0.33  -0.16    -0.11  -0.41   0.20
    18   1    -0.00  -0.05  -0.25    -0.00   0.00   0.05    -0.01   0.05   0.31
    19   1     0.01  -0.03  -0.18    -0.01   0.04   0.22    -0.00   0.02   0.08
    20   1     0.22  -0.24  -0.03    -0.57   0.60   0.09     0.00  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3087.2011              3092.6121              3105.7697
 Red. masses --      1.1013                 1.1018                 1.0951
 Frc consts  --      6.1842                 6.2090                 6.2239
 IR Inten    --     40.7741                32.2758                19.3196
 RamAct Fr= 1--     86.2516                56.5131               110.4375
  Dep-P Fr= 1--      0.4290                 0.6219                 0.4295
  Dep-U Fr= 1--      0.6004                 0.7668                 0.6009
 Alpha2 Fr= 1--      0.5740                 0.1323                 0.7336
 Beta2  Fr= 1--      8.6314                 7.2228                11.0608
 AlphaG Fr= 1--      0.4473                -0.2887                 0.2815
 Gamma2 Fr= 1--     25.7543               -15.7475                 3.7086
 Delta2 Fr= 1--     16.5552                -7.9006                 8.5652
 Raman1 Fr= 1--     345.006                226.053                441.750
 ROA1   Fr= 1--    3002.176              -1764.579                630.107
 CID1   Fr= 1--       8.702                 -7.806                  1.426
 Raman2 Fr= 1--     103.577                 86.673                132.730
 ROA2   Fr= 1--     485.661               -314.735                 20.484
 CID2   Fr= 1--       4.689                 -3.631                  0.154
 Raman3 Fr= 1--     207.153                173.346                265.459
 ROA3   Fr= 1--    3002.176              -1764.579                630.107
 CID3   Fr= 1--      14.493                -10.180                  2.374
 RC180  Fr= 1--       0.201                  0.534                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.03  -0.08  -0.01
     4   6    -0.01   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00   0.00  -0.01     0.01   0.00  -0.04    -0.01  -0.00   0.02
     7   1    -0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05     0.07   0.09   0.24
     9   1     0.02   0.08  -0.01    -0.03  -0.11   0.01     0.25   0.91  -0.11
    10   1     0.09  -0.05  -0.13     0.06  -0.03  -0.10    -0.01   0.00   0.01
    11   6    -0.07   0.05   0.02    -0.02  -0.06   0.07     0.00  -0.01   0.01
    12   1     0.32  -0.23  -0.50     0.20  -0.15  -0.28    -0.00   0.00   0.01
    13   1     0.54  -0.40   0.27    -0.27   0.18  -0.11    -0.07   0.05  -0.03
    14   1    -0.02  -0.00   0.02     0.33   0.64  -0.42     0.05   0.09  -0.06
    15   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.01   0.00    -0.00   0.01   0.01    -0.00   0.00  -0.00
    17   1    -0.01  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    18   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.02
    19   1     0.00  -0.01  -0.05     0.00  -0.01  -0.06    -0.00   0.00   0.01
    20   1     0.09  -0.10  -0.01     0.05  -0.05  -0.01     0.01  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   678.37843 902.345921330.83938
           X            0.98846   0.15085   0.01372
           Y           -0.15068   0.98850  -0.01295
           Z           -0.01552   0.01074   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12768     0.09599     0.06508
 Rotational constants (GHZ):           2.66038     2.00005     1.35609
 Zero-point vibrational energy     468544.6 (Joules/Mol)
                                  111.98485 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     85.29   105.50   364.93   398.71   486.32
          (Kelvin)            546.45   589.51   669.60   697.22   750.40
                              890.15  1040.23  1152.60  1191.80  1270.77
                             1312.37  1381.39  1404.89  1423.46  1479.74
                             1529.59  1603.34  1642.96  1661.53  1722.77
                             1782.02  1801.96  1836.83  1881.26  1933.52
                             1937.31  1976.11  1981.25  1996.59  2039.58
                             2085.85  2120.49  2153.18  2157.22  2163.36
                             2168.57  2569.71  4324.10  4338.57  4352.92
                             4354.58  4360.09  4368.61  4410.40  4417.25
                             4433.19  4441.79  4449.58  4468.51
 
 Zero-point correction=                           0.178459 (Hartree/Particle)
 Thermal correction to Energy=                    0.186435
 Thermal correction to Enthalpy=                  0.187379
 Thermal correction to Gibbs Free Energy=         0.145731
 Sum of electronic and zero-point Energies=           -349.188706
 Sum of electronic and thermal Energies=              -349.180730
 Sum of electronic and thermal Enthalpies=            -349.179786
 Sum of electronic and thermal Free Energies=         -349.221434
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.990             30.473             87.657
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.190
 Vibrational            115.212             24.511             19.409
 Vibration     1          0.597              1.974              4.481
 Vibration     2          0.599              1.967              4.062
 Vibration     3          0.665              1.757              1.705
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.718              1.600              1.222
 Vibration     6          0.750              1.513              1.040
 Vibration     7          0.774              1.449              0.928
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.841              1.284              0.698
 Vibration    10          0.877              1.202              0.606
 Vibration    11          0.979              0.992              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.930314D-67        -67.031370       -154.345434
 Total V=0       0.113266D+16         15.054100         34.663346
 Vib (Bot)       0.617307D-80        -80.209499       -184.689196
 Vib (Bot)    1  0.348374D+01          0.542045          1.248105
 Vib (Bot)    2  0.281132D+01          0.448911          1.033655
 Vib (Bot)    3  0.768156D+00         -0.114550         -0.263762
 Vib (Bot)    4  0.694836D+00         -0.158118         -0.364080
 Vib (Bot)    5  0.550044D+00         -0.259602         -0.597756
 Vib (Bot)    6  0.476122D+00         -0.322282         -0.742081
 Vib (Bot)    7  0.431885D+00         -0.364632         -0.839595
 Vib (Bot)    8  0.363831D+00         -0.439100         -1.011066
 Vib (Bot)    9  0.343763D+00         -0.463740         -1.067801
 Vib (Bot)   10  0.309044D+00         -0.509979         -1.174271
 Vib (Bot)   11  0.236700D+00         -0.625802         -1.440962
 Vib (V=0)       0.751574D+02          1.875971          4.319584
 Vib (V=0)    1  0.401943D+01          0.604165          1.391141
 Vib (V=0)    2  0.335544D+01          0.525749          1.210583
 Vib (V=0)    3  0.141655D+01          0.151232          0.348225
 Vib (V=0)    4  0.135604D+01          0.132271          0.304565
 Vib (V=0)    5  0.124334D+01          0.094589          0.217798
 Vib (V=0)    6  0.119043D+01          0.075704          0.174314
 Vib (V=0)    7  0.116070D+01          0.064720          0.149024
 Vib (V=0)    8  0.111836D+01          0.048583          0.111866
 Vib (V=0)    9  0.110677D+01          0.044059          0.101448
 Vib (V=0)   10  0.108780D+01          0.036549          0.084157
 Vib (V=0)   11  0.105320D+01          0.022510          0.051830
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.323096D+06          5.509331         12.685703
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016844    0.000005898    0.000004866
      2        6          -0.000000036    0.000001398   -0.000010882
      3        6           0.000000250   -0.000002561    0.000005529
      4        6          -0.000036233   -0.000059044   -0.000016926
      5        8           0.000000691    0.000000047    0.000001307
      6        1          -0.000000040    0.000000651   -0.000001084
      7        1           0.000000037    0.000001167    0.000000078
      8        1           0.000000274   -0.000002509    0.000008812
      9        1          -0.000000328   -0.000000156    0.000002489
     10        1          -0.000002437    0.000000566    0.000001887
     11        6           0.000000313    0.000003831   -0.000002790
     12        1           0.000004578    0.000000952    0.000003705
     13        1           0.000006399    0.000003417    0.000001856
     14        1           0.000002597    0.000000364    0.000002843
     15        6          -0.000001607   -0.000020678    0.000012305
     16        6           0.000047498    0.000072353    0.000001197
     17        1          -0.000000488    0.000000738   -0.000000758
     18        1          -0.000006807   -0.000010457   -0.000006430
     19        1           0.000002656    0.000003783   -0.000006851
     20        1          -0.000000474    0.000000241   -0.000001152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072353 RMS     0.000015363
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.942322D+02  0.631868D+00 -0.214402D+01
      2   0.631868D+00  0.927187D+02  0.569030D+00
      3  -0.214402D+01  0.569030D+00  0.770955D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.458767D+01  0.242573D+01 -0.769657D+01
      2  -0.153252D+02  0.509618D+01 -0.143703D+02
      3   0.157173D+02  0.822597D+01  0.184443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.428325D+02 -0.206825D+02 -0.221952D+02
      2   0.256273D+02  0.280806D+02  0.367337D+01
      3   0.172052D+02 -0.739811D+01  0.185218D+02
      4   0.724399D+01 -0.606981D+01  0.143567D+02
      5  -0.193321D+02  0.990630D+01 -0.265532D+02
      6   0.105551D+02 -0.409343D+01  0.163629D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.547675D+01 -0.234685D+01 -0.167188D+01 -0.702324D+00  0.294018D+01
      2  -0.234685D+01  0.244981D+00 -0.242730D+00  0.294018D+01  0.292001D+01
      3  -0.167188D+01 -0.242730D+00 -0.274210D+01 -0.636892D+00 -0.204543D+01
                 6             7             8             9            10 
      1  -0.636892D+00 -0.251422D+01 -0.406698D+00 -0.376518D+01  0.169389D+01
      2  -0.204543D+01 -0.406698D+00 -0.128028D+01 -0.712324D+00  0.313654D+01
      3  -0.138929D-01 -0.376518D+01 -0.712324D+00  0.513796D+01 -0.331387D+00
                11            12            13            14            15 
      1   0.313654D+01 -0.331387D+00  0.129976D+01 -0.501392D+01 -0.743084D+00
      2  -0.419678D+01 -0.156183D+01 -0.501392D+01 -0.131577D+01  0.396401D+01
      3  -0.156183D+01  0.200322D+01 -0.743084D+00  0.396401D+01  0.636675D+00
                16            17            18            19            20 
      1   0.744622D+00 -0.210386D+01  0.104709D+01  0.173528D+01 -0.298921D+01
      2  -0.210386D+01  0.330085D+01  0.173090D+01 -0.298921D+01  0.361936D+01
      3   0.104709D+01  0.173090D+01 -0.874868D+00  0.173616D+01 -0.728275D+00
                21            22            23            24            25 
      1   0.173616D+01 -0.359556D+01  0.343112D+01 -0.128905D+01  0.855169D+00
      2  -0.728275D+00  0.343112D+01  0.616254D+01 -0.244014D+01 -0.637220D+00
      3  -0.229028D+01 -0.128905D+01 -0.244014D+01 -0.203169D+01 -0.176351D+01
                26            27            28            29            30 
      1  -0.637220D+00 -0.176351D+01 -0.261207D+01  0.281739D+01 -0.144374D+01
      2  -0.111727D+01 -0.198200D+01  0.281739D+01 -0.200832D+01  0.334633D+01
      3  -0.198200D+01 -0.346959D+01 -0.144374D+01  0.334633D+01  0.285848D+01
                31            32            33            34            35 
      1   0.438086D+01 -0.215401D+01  0.302132D+01 -0.166053D+01  0.417186D+01
      2  -0.215401D+01 -0.271348D+01  0.998757D+00  0.417186D+01  0.201815D+01
      3   0.302132D+01  0.998757D+00 -0.647838D+00  0.320928D+01 -0.118861D+01
                36            37            38            39            40 
      1   0.320928D+01  0.477420D+01 -0.456907D+01 -0.141989D+01 -0.395451D+01
      2  -0.118861D+01 -0.456907D+01  0.393346D+01  0.845104D+00  0.543505D+01
      3  -0.445766D+01 -0.141989D+01  0.845104D+00  0.252158D+00  0.113287D+01
                41            42            43            44            45 
      1   0.543505D+01  0.113287D+01 -0.196838D+01  0.163576D+01  0.184051D+01
      2  -0.967541D+01 -0.335929D+01  0.163576D+01 -0.316662D+01 -0.386380D+01
      3  -0.335929D+01 -0.176683D+01  0.184051D+01 -0.386380D+01 -0.250948D+01
                46            47            48            49            50 
      1   0.218145D+01  0.762987D+00 -0.148147D+01  0.131129D+00  0.177549D+00
      2   0.762987D+00  0.598461D+00 -0.233256D+00  0.177549D+00  0.121449D+00
      3  -0.148147D+01 -0.233256D+00  0.144220D+01  0.193190D+00 -0.802920D+00
                51            52            53            54            55 
      1   0.193190D+00 -0.267378D+01 -0.246334D+00  0.318148D+01  0.910547D+01
      2  -0.802920D+00 -0.246334D+00 -0.172960D+01  0.109050D+01  0.205784D+01
      3   0.292961D+00  0.318148D+01  0.109050D+01 -0.724219D+01  0.233355D+01
                56            57            58            59            60 
      1   0.205784D+01  0.233355D+01  0.606144D+00  0.941128D+00  0.335299D+00
      2   0.179737D+01  0.405492D+00  0.941128D+00  0.807862D+00  0.814294D+00
      3   0.405492D+00  0.176482D+01  0.335299D+00  0.814294D+00  0.293462D+00
                61            62            63            64            65 
      1   0.409925D+01  0.684077D+00  0.248566D+01  0.434253D+00  0.618653D+00
      2   0.684077D+00  0.149809D+01  0.849914D+00  0.618653D+00 -0.101933D-01
      3   0.248566D+01  0.849914D+00  0.143646D+01  0.102411D+01  0.149142D+00
                66            67            68            69            70 
      1   0.102411D+01  0.168133D+01 -0.239069D+00  0.174769D+00  0.142767D+01
      2   0.149142D+00 -0.239069D+00  0.704292D+00  0.132267D+01  0.232572D+00
      3   0.198252D+01  0.174769D+00  0.132267D+01  0.190608D+01  0.110717D+01
                71            72            73            74            75 
      1   0.232572D+00  0.110717D+01 -0.106731D+01 -0.105493D+01  0.734019D-01
      2   0.120319D+01  0.856632D+00 -0.105493D+01 -0.140847D+01  0.457558D+00
      3   0.856632D+00  0.847648D+01  0.734019D-01  0.457558D+00 -0.204335D+00
                76            77            78            79            80 
      1  -0.173296D+01 -0.158533D+01  0.436699D+00 -0.325587D-01  0.178839D+00
      2  -0.158533D+01 -0.853895D+01  0.251475D+01  0.178839D+00  0.722066D+00
      3   0.436699D+00  0.251475D+01 -0.172232D+01 -0.110405D+00 -0.112990D+01
                81            82            83            84            85 
      1  -0.110405D+00 -0.364159D+01  0.446081D+00  0.251224D+01  0.841058D+00
      2  -0.112990D+01  0.446081D+00 -0.825818D+00 -0.108058D+01 -0.811429D+00
      3   0.142466D+01  0.251224D+01 -0.108058D+01 -0.313004D+01 -0.112565D+01
                86            87            88            89            90 
      1  -0.811429D+00 -0.112565D+01  0.327321D+01 -0.107543D+01 -0.313732D+01
      2   0.140789D+01  0.122361D+01 -0.107543D+01  0.124864D+01  0.127817D+01
      3   0.122361D+01  0.164686D+01 -0.313732D+01  0.127817D+01  0.596920D+01
                91            92            93            94            95 
      1   0.343567D+01 -0.200186D+01  0.134160D+01 -0.358295D+01  0.293088D+01
      2  -0.200186D+01  0.186285D+01 -0.400843D+01  0.293088D+01  0.314263D+01
      3   0.134160D+01 -0.400843D+01 -0.165955D+01 -0.474251D+01 -0.133918D+01
                96            97            98            99           100 
      1  -0.474251D+01  0.409199D+00 -0.490287D+01 -0.101129D+01  0.137689D+01
      2  -0.133918D+01 -0.490287D+01 -0.236334D+01  0.175963D+01 -0.158614D+00
      3   0.928734D+00 -0.101129D+01  0.175963D+01  0.283063D+01 -0.101786D+01
               101           102           103           104           105 
      1  -0.158614D+00 -0.101786D+01 -0.459412D+00 -0.403277D-01  0.632688D+00
      2   0.100629D+01  0.119298D+01 -0.403277D-01 -0.193046D+01 -0.129905D+01
      3   0.119298D+01  0.223888D+01  0.632688D+00 -0.129905D+01 -0.167273D+01
               106           107           108           109           110 
      1  -0.165456D+01  0.491842D+00  0.601255D+00 -0.751571D+01  0.166315D+01
      2   0.491842D+00 -0.161732D+01 -0.201924D+01  0.166315D+01 -0.175504D+01
      3   0.601255D+00 -0.201924D+01 -0.510271D+01 -0.252928D+01  0.931410D+00
               111           112           113           114           115 
      1  -0.252928D+01  0.415284D+01 -0.189788D+01  0.178372D+01 -0.236936D+01
      2   0.931410D+00 -0.189788D+01  0.163251D+01 -0.686651D+00  0.974725D+00
      3  -0.154689D+01  0.178372D+01 -0.686651D+00  0.120994D+01 -0.197821D+01
               116           117           118           119           120 
      1   0.974725D+00 -0.197821D+01 -0.326693D+01 -0.210513D+01  0.669449D+00
      2  -0.501086D+00  0.421654D+00 -0.210513D+01 -0.240582D+01  0.979439D+00
      3   0.421654D+00 -0.191381D+01  0.669449D+00  0.979439D+00 -0.675639D+00
               121           122           123           124           125 
      1  -0.280660D+01 -0.351946D+01  0.107165D+01  0.209249D+01  0.194545D+01
      2  -0.351946D+01 -0.606575D+01  0.149776D+01  0.194545D+01  0.281365D+01
      3   0.107165D+01  0.149776D+01 -0.155965D+01 -0.907511D+00 -0.168805D+01
               126           127           128           129           130 
      1  -0.907511D+00  0.229292D+01  0.209829D+01  0.173610D+01  0.264823D+01
      2  -0.168805D+01  0.209829D+01 -0.269460D+01  0.592203D+00 -0.339878D+01
      3   0.147905D+01  0.173610D+01  0.592203D+00  0.427232D-01  0.749896D+00
               131           132           133           134           135 
      1  -0.339878D+01  0.749896D+00  0.181577D+01  0.985222D+00 -0.476822D-01
      2  -0.523102D+01  0.208986D+01  0.985222D+00  0.371605D+01 -0.284987D+01
      3   0.208986D+01 -0.150415D+01 -0.476822D-01 -0.284987D+01 -0.683134D+01
               136           137           138           139           140 
      1   0.384351D+00 -0.415738D+01 -0.688976D+00 -0.409345D+01  0.432352D+01
      2  -0.415738D+01  0.393265D+01 -0.125037D+01  0.432352D+01  0.396170D+00
      3  -0.688976D+00 -0.125037D+01 -0.155042D+00 -0.104875D+01 -0.999661D+00
               141           142           143           144           145 
      1  -0.104875D+01 -0.131102D+01 -0.784613D+00 -0.195697D+00  0.113323D+01
      2  -0.999661D+00 -0.784613D+00 -0.263055D+01  0.151247D+01  0.163576D+01
      3   0.201707D+01 -0.195697D+00  0.151247D+01  0.691328D+01 -0.698327D+00
               146           147           148           149           150 
      1   0.163576D+01 -0.698327D+00  0.167787D+01  0.240941D+01 -0.370529D+00
      2   0.218671D+01 -0.386589D+00  0.240941D+01  0.109140D+02 -0.180918D+01
      3  -0.386589D+00  0.224337D+00 -0.370529D+00 -0.180918D+01  0.129745D+01
               151           152           153           154           155 
      1  -0.111081D+01 -0.802996D+00  0.487830D+00 -0.243836D+00  0.126320D+00
      2  -0.802996D+00 -0.362483D+01  0.207267D+01  0.126320D+00  0.240378D+00
      3   0.487830D+00  0.207267D+01 -0.547695D+00  0.792269D+00 -0.901190D-01
               156           157           158           159           160 
      1   0.792269D+00  0.514837D-01  0.403896D+00  0.193014D-01  0.158972D+01
      2  -0.901190D-01  0.403896D+00  0.184051D+01  0.134887D+01  0.114977D+00
      3  -0.955651D-01  0.193014D-01  0.134887D+01  0.127957D+01  0.472022D+00
               161           162           163           164           165 
      1   0.114977D+00  0.472022D+00  0.362394D+00  0.457254D+00 -0.750175D+00
      2   0.213608D+01  0.282536D+01  0.457254D+00 -0.194287D+00  0.174500D+00
      3   0.282536D+01  0.782122D+01 -0.750175D+00  0.174500D+00  0.399066D+00
               166           167           168           169           170 
      1  -0.173445D+00 -0.553768D+00  0.203327D-01 -0.171669D+01 -0.302815D+00
      2  -0.553768D+00 -0.404601D+00 -0.818022D+00 -0.302815D+00 -0.138830D+01
      3   0.203327D-01 -0.818022D+00 -0.115156D+01 -0.731450D+00  0.282317D+00
               171           172           173           174           175 
      1  -0.731450D+00 -0.508581D+01  0.356278D+01 -0.185904D+00  0.363051D+01
      2   0.282317D+00  0.356278D+01 -0.392318D+01  0.508006D+00 -0.377876D+01
      3  -0.799796D+01 -0.185904D+00  0.508006D+00 -0.708964D+00  0.384722D+00
               176           177           178           179           180 
      1  -0.377876D+01  0.384722D+00  0.704805D+00 -0.152489D+00 -0.784061D+00
      2   0.582556D+01 -0.175056D+00 -0.152489D+00  0.762446D+00  0.753571D+00
      3  -0.175056D+00  0.561853D+00 -0.784061D+00  0.753571D+00 -0.541655D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.201080D+01  0.450451D+00  0.667526D+00 -0.116399D+01 -0.599293D+00
      2  -0.674869D+01 -0.114022D+01 -0.707405D+01  0.807847D+00 -0.302764D+01
      3   0.499264D+01 -0.971963D+01 -0.400813D+01 -0.541660D+01 -0.342970D+01
                 6             7             8             9            10 
      1  -0.330261D+01  0.145093D+01  0.532983D+01 -0.372300D+01  0.406792D+01
      2   0.185118D+01 -0.136395D+02 -0.345768D+01  0.973411D+01 -0.162916D+02
      3   0.576372D+01 -0.555380D+01  0.250940D+01 -0.245354D-01 -0.685306D+01
                11            12            13            14            15 
      1   0.419185D+01 -0.227366D+01  0.415588D+01 -0.651377D+00  0.684286D+01
      2  -0.795284D+01  0.529706D+01 -0.532184D+01  0.810095D+01 -0.249091D+01
      3  -0.614569D+01  0.411838D+01  0.148204D+01  0.530885D+01 -0.907909D+01
                16            17            18            19            20 
      1   0.804751D-01  0.148327D+02  0.748570D+00 -0.462787D+01  0.261865D+01
      2  -0.131421D+02 -0.461880D+01  0.967826D+01 -0.464581D+01  0.701625D+01
      3  -0.173609D+01 -0.104454D+02 -0.694556D-01  0.255511D+01  0.156053D+01
                21            22            23            24            25 
      1  -0.430897D+01  0.285407D+01  0.443907D+01 -0.850622D+01 -0.476334D+01
      2   0.211167D+01  0.815293D+01 -0.546642D+01  0.479045D+01 -0.962638D+01
      3  -0.279519D+01  0.683023D+01 -0.735732D+01  0.291308D+01 -0.286315D+01
                26            27            28            29            30 
      1  -0.316412D+01 -0.675301D+01  0.376529D+01 -0.115389D+01 -0.142350D+00
      2   0.535007D+01  0.152969D+01  0.966106D+01 -0.899813D+01  0.616597D+00
      3   0.329774D+01  0.216345D+01  0.498962D+01 -0.715171D+01  0.752389D+01
                31            32            33            34            35 
      1  -0.207519D+01  0.166613D+01 -0.129086D+01  0.189428D+01  0.594230D+01
      2  -0.137069D+02 -0.136363D+01  0.192944D+01 -0.102350D+01 -0.135191D+01
      3  -0.585067D+00 -0.496835D+01  0.228111D+01  0.998972D+01  0.236425D+01
                36            37            38            39            40 
      1   0.854108D+00 -0.322409D+01 -0.197055D+01  0.390483D+01  0.140936D+01
      2   0.300836D+01  0.126816D+01  0.418821D+01  0.406456D+01  0.423138D+01
      3  -0.343641D+01 -0.211039D+00 -0.313854D+01 -0.751281D+00  0.695156D+01
                41            42            43            44            45 
      1  -0.651689D+00 -0.985081D+01  0.166996D+01 -0.289045D+01 -0.426334D+01
      2  -0.780792D+01 -0.457550D+01  0.418924D+01 -0.203294D+01 -0.826855D+01
      3   0.110916D+02  0.314855D+01  0.443343D+01  0.621633D+01  0.271429D+01
                46            47            48            49            50 
      1   0.120828D+01  0.377680D+00 -0.113395D+01  0.569379D+00 -0.823361D+00
      2  -0.259386D+01 -0.114111D+01  0.430434D+01  0.134892D+00 -0.650629D+00
      3  -0.239328D+00 -0.165283D+01 -0.553984D+00  0.195604D+01  0.106393D+01
                51            52            53            54            55 
      1  -0.114323D+01 -0.275519D+01  0.159594D+01  0.565846D+01 -0.334525D+01
      2   0.799026D-02  0.501053D+01  0.383801D+01 -0.164420D+02  0.102771D+02
      3   0.687079D+00 -0.507147D+00  0.471421D+01 -0.581301D+00  0.594549D+01
                56            57            58            59            60 
      1  -0.108414D+01 -0.161882D+01  0.461559D+00  0.899199D+00 -0.109114D+01
      2   0.286272D+01  0.644778D+01  0.165708D+00  0.110051D+01  0.543510D+00
      3  -0.303604D+01  0.141398D+01  0.643536D+00 -0.121811D+01 -0.178339D+01
                61            62            63            64            65 
      1  -0.283257D+01 -0.883601D-01 -0.120023D+01  0.125675D+01  0.130886D+01
      2   0.688407D+01  0.331338D+01  0.412652D+01  0.582925D+00 -0.135959D+01
      3   0.380498D+01 -0.317471D+01  0.796885D+00  0.318450D-01 -0.243708D+01
                66            67            68            69            70 
      1   0.342766D+01 -0.500895D+00  0.355882D+01  0.365398D+01  0.195914D+01
      2  -0.270298D+01 -0.156960D+01 -0.136063D+00 -0.152527D+01 -0.320842D+01
      3  -0.152094D+01 -0.842098D-01  0.105062D+00 -0.805251D+00 -0.875006D+00
                71            72            73            74            75 
      1   0.531241D+01  0.991348D+01 -0.117241D+01 -0.223118D+01 -0.141982D+00
      2  -0.705340D+00 -0.456104D+01  0.842132D+00  0.117648D+01  0.148347D+01
      3  -0.697126D+00 -0.250455D+01  0.112962D+01 -0.921696D+00  0.966609D+00
                76            77            78            79            80 
      1  -0.168676D+01 -0.774149D+01 -0.173442D+01  0.797348D+00  0.126386D+01
      2   0.325185D+01  0.143595D+01 -0.661054D-01 -0.130239D+01 -0.288959D+00
      3   0.588748D+01  0.105476D+01 -0.297328D+00  0.444079D+00  0.494098D+00
                81            82            83            84            85 
      1  -0.683699D-02 -0.225290D+00 -0.150605D+01  0.840234D-01  0.843216D-01
      2  -0.294401D-01  0.505106D-01  0.117108D+01  0.397475D+01 -0.139634D+00
      3   0.105388D+00  0.339073D+00 -0.341986D+01 -0.202740D+01 -0.188301D+00
                86            87            88            89            90 
      1   0.102806D+01 -0.961458D+00  0.320871D+00  0.251212D+01 -0.562049D+00
      2  -0.110468D+00 -0.818388D+00 -0.306199D+01 -0.104000D+00 -0.578918D+01
      3   0.353644D+01  0.206344D+01 -0.255692D+01  0.347409D+01  0.253402D+01
                91            92            93            94            95 
      1   0.180546D+01 -0.650420D+01  0.197081D+01 -0.884782D+01 -0.467569D+01
      2  -0.215289D+01  0.116703D+02  0.826131D+01  0.138078D+02  0.533835D+01
      3  -0.985212D+01  0.431739D+01 -0.132110D+02  0.135036D+02  0.577017D+01
                96            97            98            99           100 
      1   0.359329D+00  0.329892D+01  0.480320D+01  0.169955D+01 -0.785463D+00
      2  -0.640597D+01  0.361591D+00 -0.742135D+01 -0.836559D+01  0.560307D+01
      3   0.132012D+01 -0.139665D+02 -0.960365D+00  0.507175D+01 -0.306284D+01
               101           102           103           104           105 
      1  -0.473893D+00  0.176873D+01  0.614551D+00  0.492933D+00 -0.226950D+01
      2  -0.304098D+01 -0.567788D+01 -0.299446D+01  0.343464D+01  0.495720D+01
      3   0.189807D+01  0.405971D+01  0.217256D+01 -0.432097D+01 -0.408236D+01
               106           107           108           109           110 
      1   0.642958D+00  0.125377D+01 -0.451670D+01 -0.372854D+01  0.304592D+01
      2  -0.578326D+01  0.544666D+01  0.131907D+02  0.203560D+01 -0.132615D+01
      3   0.406938D+01 -0.434262D+01 -0.631712D+01  0.971997D+01 -0.870523D+01
               111           112           113           114           115 
      1  -0.153502D+01  0.240753D+01 -0.227156D+01  0.185748D+00 -0.247857D+01
      2   0.529098D+01 -0.281720D+01  0.880505D+00 -0.313961D+01  0.171890D+01
      3   0.483258D+01 -0.640317D+01  0.707686D+01 -0.277297D+01  0.483311D+01
               116           117           118           119           120 
      1   0.208684D+01 -0.153368D+01  0.193684D+01  0.262427D+01 -0.214626D+01
      2  -0.495630D+00  0.492412D+01 -0.236906D+01 -0.359488D+01  0.318245D+01
      3  -0.312689D+01  0.262237D+01 -0.199850D+01 -0.603151D+01  0.214401D+01
               121           122           123           124           125 
      1   0.313792D+01  0.463994D+01 -0.527109D+01 -0.166709D+01 -0.209669D+01
      2  -0.357275D+01 -0.513369D+01  0.572713D+01  0.120041D+01  0.461786D+01
      3  -0.369155D+01 -0.134234D+02  0.311517D+01  0.207734D+01  0.593800D+01
               126           127           128           129           130 
      1   0.344376D+01 -0.284960D+01 -0.329108D+01 -0.272139D+00 -0.291118D+01
      2  -0.460595D+01  0.188397D+01  0.284879D+01  0.185698D+01  0.928060D+00
      3  -0.368145D+01  0.496476D+01  0.778781D+01  0.357503D+01  0.131786D+02
               131           132           133           134           135 
      1  -0.868575D+01  0.228432D+01  0.129066D+01  0.112196D+02  0.145278D+02
      2   0.283015D+01 -0.487521D+00 -0.430251D+01 -0.201559D+01 -0.408548D+01
      3  -0.599977D+01 -0.700280D+00  0.310082D+01 -0.165199D+01  0.100682D+01
               136           137           138           139           140 
      1   0.420298D+01  0.213615D+00  0.142950D+01 -0.798963D+00  0.432405D+01
      2   0.182727D+01 -0.229388D+01  0.224273D+01 -0.210439D+01  0.414884D+01
      3  -0.890407D+01 -0.681248D+01 -0.369602D+01 -0.700603D+00  0.940859D+01
               141           142           143           144           145 
      1  -0.526428D+01  0.599627D+00  0.125471D+01 -0.116662D+02  0.195611D+01
      2  -0.271773D+01 -0.285014D+01 -0.272825D+01 -0.544163D+01 -0.272140D+00
      3  -0.234611D+01 -0.334536D+01 -0.404347D+01  0.187095D+01  0.194417D+01
               146           147           148           149           150 
      1   0.183059D+01 -0.131033D+01  0.154092D+01  0.670277D+01 -0.636217D+01
      2  -0.115178D+01  0.108295D+01  0.743450D-02 -0.238940D+01  0.155119D+01
      3   0.316990D-01 -0.123912D+01  0.562961D+01 -0.271693D+01  0.213231D+00
               151           152           153           154           155 
      1  -0.113651D+01 -0.451085D+01  0.195010D+01 -0.188990D+01  0.185287D+00
      2  -0.965985D+00  0.156631D+01 -0.310875D+00  0.535941D+00 -0.509260D-01
      3  -0.350979D+01  0.112829D+01 -0.192417D+00 -0.111672D+01 -0.147624D+01
               156           157           158           159           160 
      1   0.520536D+00  0.193876D+00 -0.176670D+01 -0.318402D+01 -0.609067D+00
      2   0.925931D+00 -0.512600D+00  0.590428D+00  0.100185D+01 -0.300262D+01
      3   0.164319D+01  0.192803D+00  0.163615D-01 -0.567242D+00  0.436463D+01
               161           162           163           164           165 
      1  -0.176824D+01 -0.171027D+02  0.122618D+01 -0.328808D-01 -0.101341D+01
      2   0.157508D+01  0.525295D+01  0.121933D+01  0.171811D+00  0.217428D+00
      3  -0.109936D+01 -0.611625D+00  0.117578D+01 -0.171578D+00 -0.124011D+01
               166           167           168           169           170 
      1   0.763035D+00  0.207558D+01  0.124568D+01  0.104555D+01  0.387045D+01
      2  -0.728436D+00 -0.154589D+00  0.145794D+01 -0.423353D+01 -0.291604D+00
      3   0.489900D+00 -0.165197D+01 -0.664310D+00 -0.329157D+01 -0.160913D+01
               171           172           173           174           175 
      1   0.121379D+02 -0.158820D+01  0.140069D+01  0.212328D+01  0.864323D+00
      2   0.742107D+01 -0.178490D+01  0.122812D+01  0.264061D+01  0.197993D+01
      3  -0.800052D+00 -0.586610D+01 -0.113547D+01  0.482422D+00  0.526739D+01
               176           177           178           179           180 
      1  -0.224290D+01 -0.288680D+01  0.150731D+01 -0.398944D+00  0.677349D+00
      2  -0.161986D+01 -0.159089D+01 -0.338237D+00 -0.511503D+00  0.107410D+00
      3   0.970085D+00  0.519372D+00  0.108785D+01  0.101464D+01 -0.667011D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.250557D+02 -0.147770D+02 -0.972573D+01  0.101461D+01  0.274568D+01
      2   0.164886D+02  0.141688D+02  0.184723D+01  0.212405D+01  0.614573D+01
      3   0.856708D+01  0.608245D+00  0.787850D+01 -0.313866D+01 -0.889142D+01
      4  -0.143720D+02 -0.680373D+01 -0.601923D+01  0.470514D+01  0.765332D+01
      5  -0.115840D+02 -0.302793D+01 -0.128943D+02 -0.905517D+00 -0.320071D+01
      6  -0.371173D+01 -0.356144D-01 -0.105111D+01 -0.829616D-01 -0.806443D+00
                 6             7             8             9            10 
      1  -0.194139D+01 -0.132778D+02 -0.448940D+01 -0.106185D+02  0.278054D+01
      2   0.122120D+01  0.218731D+01 -0.291377D+01  0.176881D+02 -0.992381D+01
      3   0.720186D+00  0.110905D+02  0.740317D+01 -0.706966D+01  0.714327D+01
      4  -0.518882D+01 -0.996320D+01 -0.403613D+01 -0.861458D+01  0.141242D+02
      5   0.315038D+00 -0.174167D+02 -0.507379D+01  0.172744D+02  0.455074D+01
      6   0.629654D+00 -0.592403D+01 -0.818671D+00  0.111660D+02 -0.127760D+01
                11            12            13            14            15 
      1   0.937945D-01 -0.555898D+01 -0.408822D+01 -0.292658D+01  0.309648D+01
      2   0.855127D+01  0.583208D+00  0.869877D+01 -0.133367D+02 -0.532090D+01
      3  -0.864506D+01  0.497577D+01 -0.461055D+01  0.162632D+02  0.222443D+01
      4  -0.167773D+02 -0.268350D+01 -0.272065D+02  0.194142D+02  0.103396D+02
      5  -0.191732D+01  0.132742D+01 -0.595093D+01  0.586977D+01  0.415974D+01
      6   0.598258D+01  0.839053D-02  0.208907D+01 -0.148526D+02 -0.915792D+01
                16            17            18            19            20 
      1   0.385010D+01 -0.366568D+00  0.453447D+01 -0.600338D+01  0.430462D+01
      2   0.140043D+01 -0.874763D+01 -0.100670D+02  0.310931D+01 -0.340353D+01
      3  -0.525053D+01  0.911420D+01  0.553254D+01  0.289408D+01 -0.901091D+00
      4  -0.113480D+02  0.170212D+02  0.578988D+01 -0.683463D+01  0.525202D+01
      5   0.520815D+01  0.187392D+01  0.674933D+01 -0.660714D+01  0.233806D+01
      6   0.882766D+00 -0.300276D+01 -0.454232D+01 -0.267258D+01  0.171628D+01
                21            22            23            24            25 
      1   0.562741D+01  0.110937D+02  0.153498D+02  0.552209D+01  0.956021D+00
      2   0.539247D+01 -0.990613D+01 -0.206601D+02  0.106559D+02  0.288299D+01
      3  -0.110199D+02 -0.118761D+01  0.531032D+01 -0.161780D+02 -0.383901D+01
      4   0.104931D+01  0.658439D+01 -0.701812D+01  0.529143D+00  0.298902D+01
      5   0.254358D+01  0.422972D+01  0.232059D+01 -0.237109D+01  0.281671D+01
      6   0.168801D+01  0.355504D+01  0.140569D+02  0.325010D-01  0.928387D-01
                26            27            28            29            30 
      1   0.537935D+01  0.122049D+02 -0.106202D+01 -0.626639D+01  0.680993D+01
      2   0.652508D+01  0.101674D+02  0.301521D+01 -0.497581D+00 -0.474394D+01
      3  -0.119044D+02 -0.223723D+02 -0.195319D+01  0.676397D+01 -0.206599D+01
      4  -0.721870D+00 -0.300457D+01 -0.168747D+01 -0.161332D+01 -0.110076D+02
      5  -0.245988D+01 -0.849464D+01  0.924045D+01 -0.120240D+02 -0.172150D+02
      6   0.273756D+01  0.885968D+00 -0.615267D+01 -0.407190D+01  0.152177D+01
                31            32            33            34            35 
      1  -0.940613D+01  0.276029D+01 -0.134700D+02 -0.969521D+00 -0.114401D+02
      2   0.270568D+01  0.509318D+00  0.545540D+01 -0.460482D+01  0.551428D+01
      3   0.670045D+01 -0.326961D+01  0.801460D+01  0.557434D+01  0.592581D+01
      4  -0.683903D+01  0.653776D+01 -0.143807D+01 -0.108032D+02 -0.661861D+01
      5  -0.182106D+02 -0.235311D+01  0.541638D+01 -0.143526D+02  0.479154D+01
      6  -0.153612D+01 -0.287912D+01 -0.532641D+01  0.144268D+01 -0.153228D+01
                36            37            38            39            40 
      1  -0.126168D+02  0.191595D+02 -0.717587D+01 -0.263469D+01 -0.330817D+01
      2   0.823984D+01  0.754449D+00 -0.795608D+01  0.144036D+01 -0.117049D+02
      3   0.437701D+01 -0.199140D+02  0.151320D+02  0.119433D+01  0.150131D+02
      4   0.398503D+01 -0.312740D+02  0.314130D+02  0.638782D+01  0.364091D+02
      5   0.205959D+02 -0.588025D+01  0.363561D+01  0.799853D+01  0.614258D+01
      6  -0.763162D+01  0.582619D+01 -0.369081D+01 -0.543587D+01 -0.540186D+01
                41            42            43            44            45 
      1  -0.123136D+02 -0.622791D+01  0.803796D-01 -0.544889D+01 -0.681324D+01
      2   0.395098D+02  0.750523D+01 -0.627951D+00  0.887965D+01  0.371160D+01
      3  -0.271962D+02 -0.127731D+01  0.547572D+00 -0.343076D+01  0.310163D+01
      4  -0.477338D+02 -0.110563D+02  0.113336D+02 -0.136646D+02 -0.147643D+02
      5  -0.708468D+01 -0.972754D+01  0.108246D+02 -0.119731D+02 -0.121405D+02
      6   0.173377D+02  0.165567D+02 -0.775462D+01  0.192154D+02  0.133809D+02
                46            47            48            49            50 
      1   0.963800D+01  0.308598D+01 -0.489001D+01 -0.556215D+00 -0.207336D+01
      2  -0.895377D+01 -0.259622D+01  0.545012D+01  0.150129D+01  0.202810D+00
      3  -0.684234D+00 -0.489766D+00 -0.560112D+00 -0.945073D+00  0.187055D+01
      4   0.582296D+01  0.488106D+01 -0.299399D+01  0.400273D+01  0.160260D+01
      5  -0.832574D+01 -0.171247D+01  0.113592D+02  0.800040D+00 -0.383182D+01
      6  -0.326909D+01 -0.137456D+01  0.235497D+01 -0.257637D+01 -0.206862D+01
                51            52            53            54            55 
      1   0.192450D+01 -0.676864D+01  0.271561D+01 -0.203219D+00  0.514784D+02
      2  -0.245020D+01  0.111510D+02 -0.455346D-01 -0.196735D+02 -0.287074D+02
      3   0.525704D+00 -0.438235D+01 -0.267008D+01  0.198767D+02 -0.227710D+02
      4  -0.445263D+01 -0.418512D+01 -0.635181D+01  0.782980D+01  0.225578D+02
      5   0.390946D+00  0.176282D+02  0.506713D+01 -0.300005D+02  0.163496D+02
      6   0.666923D+01  0.559935D+01  0.583606D+01 -0.130296D+02  0.352919D+01
                56            57            58            59            60 
      1   0.108009D+02  0.124380D+02 -0.184640D+00  0.345296D+01  0.139229D+01
      2  -0.524325D+01 -0.735923D+01  0.215426D+01  0.234134D+00  0.225513D+00
      3  -0.555768D+01 -0.507874D+01 -0.196962D+01 -0.368709D+01 -0.161781D+01
      4   0.138913D+02  0.517821D+01  0.104902D+02  0.579207D+01  0.385246D+01
      5   0.311303D+01  0.118124D+02  0.156523D+01  0.413592D+01  0.140690D+01
      6   0.125810D+01  0.311657D+01  0.132541D+01  0.814320D+00  0.263888D+01
                61            62            63            64            65 
      1   0.196711D+02  0.381046D+01  0.964839D+01  0.173378D+01 -0.763619D+00
      2  -0.127042D+02 -0.443623D+00 -0.903170D+01 -0.567687D+01  0.469692D+00
      3  -0.696690D+01 -0.336684D+01 -0.616685D+00  0.394308D+01  0.293927D+00
      4   0.937599D+01  0.716344D+01  0.725198D+01  0.282526D+00  0.133403D+01
      5   0.161079D+02  0.578579D+01  0.991096D+01  0.514431D+01  0.728219D+00
      6   0.485018D+01  0.333956D+01  0.180777D+01  0.216140D+00  0.113773D+01
                66            67            68            69            70 
      1  -0.508209D+01 -0.101165D+01 -0.435051D+01 -0.526950D+01 -0.243672D+01
      2  -0.507196D+01  0.100526D+01 -0.999627D+00 -0.593229D+01 -0.233464D+01
      3   0.101540D+02  0.638136D-02  0.535014D+01  0.112018D+02  0.477136D+01
      4  -0.595233D+00 -0.983353D+00  0.152011D+01  0.117139D+01 -0.214813D+01
      5   0.890651D+01  0.112121D+01  0.114924D+01  0.156160D+01  0.605208D+01
      6  -0.285711D+01  0.619296D+00  0.752393D+00  0.375328D+01 -0.801062D+00
                71            72            73            74            75 
      1  -0.170391D+01 -0.250825D+02  0.533254D+00 -0.859113D+00  0.286039D+00
      2  -0.363691D+01 -0.203056D+02  0.257245D+01  0.180008D+01 -0.179298D+00
      3   0.534082D+01  0.453881D+02 -0.310570D+01 -0.940966D+00 -0.106741D+00
      4   0.781163D+00  0.108423D+01  0.450582D+01  0.866385D+01 -0.230227D+01
      5   0.810486D+00  0.796009D+01 -0.250507D+01 -0.370051D+01  0.344897D+01
      6   0.468604D+01 -0.737465D+01 -0.257262D+01 -0.299289D+01  0.205177D+01
                76            77            78            79            80 
      1  -0.242832D+01 -0.223237D+02  0.832701D+01 -0.734041D+00  0.260132D+01
      2   0.461697D+01  0.324686D+02 -0.701074D+01  0.403441D+00 -0.332639D+00
      3  -0.218865D+01 -0.101448D+02 -0.131627D+01  0.330600D+00 -0.226868D+01
      4   0.762807D+01  0.830798D+01 -0.218698D+01 -0.110788D+01 -0.964044D+00
      5  -0.233005D+01 -0.275159D+01  0.184695D+01  0.192305D+01  0.223075D+01
      6  -0.363398D+01 -0.211053D+02  0.119430D+02  0.154251D+01  0.855822D+01
                81            82            83            84            85 
      1  -0.591066D+01  0.157294D+02 -0.124844D+01 -0.886972D+01 -0.224967D+01
      2   0.160620D+01 -0.135593D+02  0.199266D+01  0.101655D+02  0.281907D+01
      3   0.430446D+01 -0.217012D+01 -0.744228D+00 -0.129577D+01 -0.569402D+00
      4   0.178533D+01 -0.408547D+01  0.653291D+01  0.576973D+01  0.660363D+01
      5  -0.824808D+00 -0.179392D+02  0.592581D+01  0.198264D+02  0.645199D+01
      6  -0.549764D+01  0.425902D+01 -0.131748D+01 -0.262112D+01 -0.353652D+01
                86            87            88            89            90 
      1  -0.580276D+00  0.154327D+01 -0.794601D+01  0.570894D+00  0.214994D+01
      2  -0.302776D+00 -0.258176D+01  0.115104D+02 -0.238773D+01 -0.167936D+02
      3   0.883052D+00  0.103850D+01 -0.356437D+01  0.181684D+01  0.146436D+02
      4  -0.506449D+01 -0.587467D+01  0.439371D+01 -0.476033D+01 -0.745760D+01
      5  -0.661000D+01 -0.748205D+01  0.197755D+02 -0.644970D+01 -0.290285D+02
      6   0.394694D+01  0.826681D+01 -0.455391D+01  0.535105D+01  0.705925D+01
                91            92            93            94            95 
      1  -0.179964D+02  0.944396D+01 -0.176255D+02  0.171378D+02 -0.102177D+02
      2   0.117398D+02 -0.125581D+02  0.105028D+02 -0.187117D+02 -0.117162D+01
      3   0.625654D+01  0.311416D+01  0.712273D+01  0.157395D+01  0.113893D+02
      4   0.857991D+01 -0.978770D+01  0.174834D+02 -0.125675D+02 -0.166804D+02
      5  -0.950795D+01  0.212908D+02  0.362441D+01  0.271857D+02  0.810366D+01
      6   0.575850D+01  0.769925D+01  0.789046D+01  0.804667D+01  0.628662D+01
                96            97            98            99           100 
      1   0.254352D+02 -0.131531D+02  0.234956D+02  0.109926D+02 -0.515843D+01
      2  -0.797106D+01  0.117068D+02 -0.597979D+01 -0.455495D+01  0.144437D+01
      3  -0.174642D+02  0.144632D+01 -0.175158D+02 -0.643761D+01  0.371407D+01
      4   0.119337D+02  0.221898D+02  0.147159D+02 -0.296178D+01 -0.332506D+01
      5  -0.189590D+01  0.375079D+00 -0.340317D+01 -0.724040D+01  0.356269D+00
      6  -0.407550D+01  0.720209D+01 -0.490236D+01 -0.454973D+01  0.229488D+01
               101           102           103           104           105 
      1   0.353359D+01  0.103585D+02  0.307057D+01 -0.631120D+01 -0.959913D+01
      2  -0.208029D+01 -0.234513D+01 -0.626550D+00  0.577464D+01  0.403162D+01
      3  -0.145330D+01 -0.801335D+01 -0.244402D+01  0.536562D+00  0.556751D+01
      4  -0.752040D+00 -0.179108D+01  0.381633D+01  0.634807D+01  0.243442D+01
      5  -0.332923D+01 -0.380116D+01 -0.204079D+01  0.313229D+01  0.545902D+01
      6  -0.463875D+01 -0.584625D+01 -0.228573D+01  0.672452D+01  0.949659D+01
               106           107           108           109           110 
      1   0.111983D+02 -0.954741D+01 -0.174692D+02  0.517165D+02 -0.122860D+02
      2  -0.462352D+01  0.364106D+01 -0.122751D+01 -0.312562D+02  0.921975D+01
      3  -0.657482D+01  0.590634D+01  0.186967D+02 -0.204603D+02  0.306622D+01
      4   0.103372D+01  0.426333D+01  0.437098D+01 -0.657260D+01  0.115490D+02
      5   0.244274D+01  0.610776D+01  0.153817D+02  0.215174D+02 -0.674736D+01
      6  -0.255627D+01  0.994173D+01  0.154155D+02 -0.998213D+00  0.176699D+01
               111           112           113           114           115 
      1   0.146737D+02 -0.243151D+02  0.102842D+02 -0.837651D+01  0.153573D+02
      2  -0.118084D+02  0.157847D+02 -0.529633D+01  0.625854D+01 -0.125745D+02
      3  -0.286537D+01  0.853040D+01 -0.498791D+01  0.211797D+01 -0.278278D+01
      4  -0.350236D+01  0.112100D+02 -0.974939D+01  0.322668D+01 -0.357015D+01
      5   0.144073D+02 -0.125432D+02  0.515483D+01 -0.821553D+01  0.161665D+02
      6  -0.470625D+00  0.216952D+01 -0.357961D+01  0.243533D+01 -0.909746D+00
               116           117           118           119           120 
      1  -0.537603D+01  0.794827D+01  0.180275D+02  0.951429D+01 -0.284706D+01
      2   0.424693D+01 -0.893270D+01 -0.506374D+01  0.146819D+01 -0.418795D+00
      3   0.112910D+01  0.984430D+00 -0.129638D+02 -0.109825D+02  0.326585D+01
      4   0.244022D+01 -0.211205D+01  0.171204D+02  0.189940D+02 -0.692059D+01
      5  -0.428587D+01  0.130204D+02 -0.364863D+01 -0.589045D+01  0.614627D+01
      6   0.319159D+01  0.413565D+00 -0.240529D+01 -0.139854D+01  0.162380D+01
               121           122           123           124           125 
      1   0.113622D+02  0.564509D+01 -0.378523D+01 -0.857139D+01 -0.484888D+01
      2   0.306189D+01  0.147787D+02 -0.318558D+01  0.155502D+01 -0.352445D+01
      3  -0.144241D+02 -0.204238D+02  0.697082D+01  0.701637D+01  0.837333D+01
      4   0.247969D+02  0.351764D+02 -0.933251D+01 -0.126824D+02 -0.153100D+02
      5  -0.595866D+01 -0.805254D+01  0.861430D+01  0.748058D+01  0.925491D+01
      6  -0.243143D+01 -0.421787D+01  0.673435D+01  0.312995D+01  0.706986D+01
               126           127           128           129           130 
      1   0.832615D+00 -0.180722D+01  0.852806D+01 -0.177247D-01  0.133947D+02
      2   0.110304D+01  0.492290D+01 -0.138971D+02  0.325194D+01 -0.182539D+02
      3  -0.193566D+01 -0.311568D+01  0.536900D+01 -0.323421D+01  0.485917D+01
      4   0.921631D+01  0.235854D+01 -0.670824D+00  0.543946D+01  0.290274D+01
      5  -0.924482D+01  0.199821D+01  0.184220D+01 -0.944202D+00 -0.882231D+00
      6  -0.576888D+01  0.646308D+01  0.348248D+01  0.852150D-01  0.485775D+01
               131           132           133           134           135 
      1   0.179093D+02 -0.489377D+01 -0.138614D+00 -0.455898D+01  0.154640D+02
      2  -0.325136D+02  0.119184D+02  0.318646D+01  0.178831D+02 -0.104622D+02
      3   0.146044D+02 -0.702467D+01 -0.304785D+01 -0.133241D+02 -0.500183D+01
      4  -0.176112D+02  0.589258D+01  0.473144D+01  0.680794D+01 -0.289920D+01
      5   0.420790D+01 -0.329290D+00  0.861229D+00 -0.332658D+01 -0.627243D+01
      6   0.146014D+02 -0.731759D+01 -0.133691D+01 -0.140433D+02 -0.279723D+02
               136           137           138           139           140 
      1   0.327961D+01  0.132901D+01  0.138433D+01 -0.478336D+01 -0.807583D+01
      2  -0.131294D+02  0.106824D+02 -0.312717D+01  0.157999D+02 -0.200860D+01
      3   0.984976D+01 -0.120114D+02  0.174283D+01 -0.110165D+02  0.100844D+02
      4   0.136040D+02 -0.217739D+02 -0.524884D+00 -0.199771D+02  0.148395D+02
      5   0.183364D+01  0.283308D+01  0.219298D+01  0.395652D+01 -0.111706D+01
      6  -0.298564D+01 -0.243750D+01 -0.238447D+01 -0.321874D+01 -0.346422D+01
               141           142           143           144           145 
      1   0.552919D+01  0.123351D+01  0.380206D+01  0.840711D+01 -0.122435D+01
      2  -0.822414D+00  0.147493D+00 -0.518020D+01  0.113598D+02  0.729805D+01
      3  -0.470678D+01 -0.138100D+01  0.137813D+01 -0.197669D+02 -0.607370D+01
      4  -0.165995D+01  0.143320D+00  0.384546D+01  0.572076D+00  0.866271D+01
      5  -0.327958D+01  0.286250D+01 -0.833234D+00 -0.980671D+01 -0.155989D+01
      6   0.573702D+01  0.597425D+00  0.391899D+01  0.177647D+02 -0.405274D+01
               146           147           148           149           150 
      1  -0.353665D+01  0.765020D-01 -0.543067D+01 -0.352132D+02  0.598306D+01
      2   0.108152D+02 -0.142370D+01  0.130255D+02  0.652283D+02 -0.109965D+02
      3  -0.727852D+01  0.134720D+01 -0.759486D+01 -0.300151D+02  0.501343D+01
      4   0.146449D+02 -0.350245D+01  0.124121D+02  0.246505D+02 -0.410746D+01
      5  -0.194775D+01  0.261719D+01 -0.152571D+01 -0.274951D+01  0.255209D+01
      6  -0.262946D+01  0.193313D+01 -0.290828D+01 -0.145006D+02  0.104583D+02
               151           152           153           154           155 
      1   0.136243D+01  0.115353D+02 -0.761571D+01  0.408750D+00  0.285415D-01
      2  -0.347454D+01 -0.189750D+02  0.871901D+01 -0.240613D+01  0.778875D+00
      3   0.211210D+01  0.743969D+01 -0.110330D+01  0.199738D+01 -0.807417D+00
      4  -0.508599D+01 -0.762280D+01  0.433201D+01 -0.475230D+00  0.341638D+01
      5   0.254193D+01  0.378397D+01 -0.160850D+01  0.102933D+01  0.173468D+01
      6   0.330954D+01  0.146747D+02 -0.571172D+01  0.371688D+01 -0.874971D+00
               156           157           158           159           160 
      1   0.141781D+01 -0.146070D+01 -0.775681D+01 -0.553418D+01  0.125551D+01
      2  -0.153329D+01  0.220545D+01  0.938119D+01  0.411400D+01 -0.109046D+01
      3   0.115486D+00 -0.744751D+00 -0.162438D+01  0.142018D+01 -0.165042D+00
      4   0.385091D+01  0.218784D+01  0.303290D+01  0.981831D+00  0.534008D+01
      5   0.622930D+01  0.864551D+00  0.108306D+01  0.107667D+01  0.424629D+01
      6  -0.791447D+00  0.105028D+00  0.682664D+01  0.102130D+02  0.220752D+01
               161           162           163           164           165 
      1  -0.101915D+02 -0.198881D+02 -0.175215D+01 -0.714346D+00  0.157910D+01
      2   0.703443D+01  0.113455D+01 -0.283956D+00 -0.960815D+00  0.206541D+00
      3   0.315704D+01  0.187536D+02  0.203610D+01  0.167516D+01 -0.178565D+01
      4   0.234501D+01  0.360655D+01 -0.452299D+00  0.401657D+01 -0.125634D+01
      5   0.337225D+01  0.883067D+01  0.872220D+00 -0.192661D+00  0.516545D+01
      6   0.174302D+02  0.349653D+02 -0.113851D+01  0.479383D+00  0.238560D+01
               166           167           168           169           170 
      1   0.115584D+01 -0.726374D+00 -0.539219D+00  0.197491D+01  0.391575D+01
      2  -0.287987D+01 -0.794388D+00 -0.386970D+01 -0.277647D+01 -0.378493D+01
      3   0.172403D+01  0.152076D+01  0.440892D+01  0.801556D+00 -0.130821D+00
      4   0.306428D+01 -0.140904D+01  0.139572D+01 -0.293038D+01  0.268002D+01
      5   0.183122D+00  0.118310D+01  0.315588D+01  0.506679D+01 -0.823185D+00
      6   0.406013D+00 -0.112219D+01  0.259788D+01 -0.194273D+01  0.521717D+01
               171           172           173           174           175 
      1  -0.153859D+02  0.112173D+02 -0.219286D+01 -0.258528D+00  0.572138D+00
      2  -0.153495D+02  0.479385D+01 -0.111752D+02  0.600097D+00 -0.125772D+02
      3   0.307354D+02 -0.160112D+02  0.133680D+02 -0.341570D+00  0.120051D+02
      4  -0.290575D+01 -0.279083D+02  0.263084D+02 -0.149030D+01  0.249922D+02
      5   0.121964D+02  0.252169D+01 -0.238276D+01  0.434443D+01 -0.215299D+01
      6  -0.191330D+02 -0.827206D+00  0.193968D+01 -0.320168D+01  0.229417D+01
               176           177           178           179           180 
      1  -0.709052D+01  0.504373D+00 -0.151440D+01 -0.234112D+00 -0.197544D+01
      2   0.264753D+02 -0.486012D+00  0.109195D+00  0.184832D+01  0.127170D+01
      3  -0.193848D+02 -0.183609D-01  0.140521D+01 -0.161420D+01  0.703739D+00
      4  -0.289771D+02  0.139582D+01  0.229380D+01 -0.201354D+01 -0.510435D+01
      5   0.141065D+01 -0.265454D+01  0.362160D+01 -0.381816D+01  0.597902D+00
      6  -0.218187D+01  0.481046D+01 -0.444572D+01  0.584993D+01 -0.107826D+01
 Leave Link  716 at Thu Jul  8 18:23:04 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.942322D+02  0.631868D+00 -0.214402D+01
      2   0.631868D+00  0.927187D+02  0.569030D+00
      3  -0.214402D+01  0.569030D+00  0.770955D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.458767D+01  0.242573D+01 -0.769657D+01
      2  -0.153252D+02  0.509618D+01 -0.143703D+02
      3   0.157173D+02  0.822597D+01  0.184443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.428325D+02 -0.206825D+02 -0.221952D+02
      2   0.256273D+02  0.280806D+02  0.367337D+01
      3   0.172052D+02 -0.739811D+01  0.185218D+02
      4   0.724399D+01 -0.606981D+01  0.143567D+02
      5  -0.193321D+02  0.990630D+01 -0.265532D+02
      6   0.105551D+02 -0.409343D+01  0.163629D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.547675D+01 -0.234685D+01 -0.167188D+01 -0.702324D+00  0.294018D+01
      2  -0.234685D+01  0.244981D+00 -0.242730D+00  0.294018D+01  0.292001D+01
      3  -0.167188D+01 -0.242730D+00 -0.274210D+01 -0.636892D+00 -0.204543D+01
                 6             7             8             9            10 
      1  -0.636892D+00 -0.251422D+01 -0.406698D+00 -0.376518D+01  0.169389D+01
      2  -0.204543D+01 -0.406698D+00 -0.128028D+01 -0.712324D+00  0.313654D+01
      3  -0.138929D-01 -0.376518D+01 -0.712324D+00  0.513796D+01 -0.331387D+00
                11            12            13            14            15 
      1   0.313654D+01 -0.331387D+00  0.129976D+01 -0.501392D+01 -0.743084D+00
      2  -0.419678D+01 -0.156183D+01 -0.501392D+01 -0.131577D+01  0.396401D+01
      3  -0.156183D+01  0.200322D+01 -0.743084D+00  0.396401D+01  0.636675D+00
                16            17            18            19            20 
      1   0.744622D+00 -0.210386D+01  0.104709D+01  0.173528D+01 -0.298921D+01
      2  -0.210386D+01  0.330085D+01  0.173090D+01 -0.298921D+01  0.361936D+01
      3   0.104709D+01  0.173090D+01 -0.874868D+00  0.173616D+01 -0.728275D+00
                21            22            23            24            25 
      1   0.173616D+01 -0.359556D+01  0.343112D+01 -0.128905D+01  0.855169D+00
      2  -0.728275D+00  0.343112D+01  0.616254D+01 -0.244014D+01 -0.637220D+00
      3  -0.229028D+01 -0.128905D+01 -0.244014D+01 -0.203169D+01 -0.176351D+01
                26            27            28            29            30 
      1  -0.637220D+00 -0.176351D+01 -0.261207D+01  0.281739D+01 -0.144374D+01
      2  -0.111727D+01 -0.198200D+01  0.281739D+01 -0.200832D+01  0.334633D+01
      3  -0.198200D+01 -0.346959D+01 -0.144374D+01  0.334633D+01  0.285848D+01
                31            32            33            34            35 
      1   0.438086D+01 -0.215401D+01  0.302132D+01 -0.166053D+01  0.417186D+01
      2  -0.215401D+01 -0.271348D+01  0.998757D+00  0.417186D+01  0.201815D+01
      3   0.302132D+01  0.998757D+00 -0.647838D+00  0.320928D+01 -0.118861D+01
                36            37            38            39            40 
      1   0.320928D+01  0.477420D+01 -0.456907D+01 -0.141989D+01 -0.395451D+01
      2  -0.118861D+01 -0.456907D+01  0.393346D+01  0.845104D+00  0.543505D+01
      3  -0.445766D+01 -0.141989D+01  0.845104D+00  0.252158D+00  0.113287D+01
                41            42            43            44            45 
      1   0.543505D+01  0.113287D+01 -0.196838D+01  0.163576D+01  0.184051D+01
      2  -0.967541D+01 -0.335929D+01  0.163576D+01 -0.316662D+01 -0.386380D+01
      3  -0.335929D+01 -0.176683D+01  0.184051D+01 -0.386380D+01 -0.250948D+01
                46            47            48            49            50 
      1   0.218145D+01  0.762987D+00 -0.148147D+01  0.131129D+00  0.177549D+00
      2   0.762987D+00  0.598461D+00 -0.233256D+00  0.177549D+00  0.121449D+00
      3  -0.148147D+01 -0.233256D+00  0.144220D+01  0.193190D+00 -0.802920D+00
                51            52            53            54            55 
      1   0.193190D+00 -0.267378D+01 -0.246334D+00  0.318148D+01  0.910547D+01
      2  -0.802920D+00 -0.246334D+00 -0.172960D+01  0.109050D+01  0.205784D+01
      3   0.292961D+00  0.318148D+01  0.109050D+01 -0.724219D+01  0.233355D+01
                56            57            58            59            60 
      1   0.205784D+01  0.233355D+01  0.606144D+00  0.941128D+00  0.335299D+00
      2   0.179737D+01  0.405492D+00  0.941128D+00  0.807862D+00  0.814294D+00
      3   0.405492D+00  0.176482D+01  0.335299D+00  0.814294D+00  0.293462D+00
                61            62            63            64            65 
      1   0.409925D+01  0.684077D+00  0.248566D+01  0.434253D+00  0.618653D+00
      2   0.684077D+00  0.149809D+01  0.849914D+00  0.618653D+00 -0.101933D-01
      3   0.248566D+01  0.849914D+00  0.143646D+01  0.102411D+01  0.149142D+00
                66            67            68            69            70 
      1   0.102411D+01  0.168133D+01 -0.239069D+00  0.174769D+00  0.142767D+01
      2   0.149142D+00 -0.239069D+00  0.704292D+00  0.132267D+01  0.232572D+00
      3   0.198252D+01  0.174769D+00  0.132267D+01  0.190608D+01  0.110717D+01
                71            72            73            74            75 
      1   0.232572D+00  0.110717D+01 -0.106731D+01 -0.105493D+01  0.734019D-01
      2   0.120319D+01  0.856632D+00 -0.105493D+01 -0.140847D+01  0.457558D+00
      3   0.856632D+00  0.847648D+01  0.734019D-01  0.457558D+00 -0.204335D+00
                76            77            78            79            80 
      1  -0.173296D+01 -0.158533D+01  0.436699D+00 -0.325587D-01  0.178839D+00
      2  -0.158533D+01 -0.853895D+01  0.251475D+01  0.178839D+00  0.722066D+00
      3   0.436699D+00  0.251475D+01 -0.172232D+01 -0.110405D+00 -0.112990D+01
                81            82            83            84            85 
      1  -0.110405D+00 -0.364159D+01  0.446081D+00  0.251224D+01  0.841058D+00
      2  -0.112990D+01  0.446081D+00 -0.825818D+00 -0.108058D+01 -0.811429D+00
      3   0.142466D+01  0.251224D+01 -0.108058D+01 -0.313004D+01 -0.112565D+01
                86            87            88            89            90 
      1  -0.811429D+00 -0.112565D+01  0.327321D+01 -0.107543D+01 -0.313732D+01
      2   0.140789D+01  0.122361D+01 -0.107543D+01  0.124864D+01  0.127817D+01
      3   0.122361D+01  0.164686D+01 -0.313732D+01  0.127817D+01  0.596920D+01
                91            92            93            94            95 
      1   0.343567D+01 -0.200186D+01  0.134160D+01 -0.358295D+01  0.293088D+01
      2  -0.200186D+01  0.186285D+01 -0.400843D+01  0.293088D+01  0.314263D+01
      3   0.134160D+01 -0.400843D+01 -0.165955D+01 -0.474251D+01 -0.133918D+01
                96            97            98            99           100 
      1  -0.474251D+01  0.409199D+00 -0.490287D+01 -0.101129D+01  0.137689D+01
      2  -0.133918D+01 -0.490287D+01 -0.236334D+01  0.175963D+01 -0.158614D+00
      3   0.928734D+00 -0.101129D+01  0.175963D+01  0.283063D+01 -0.101786D+01
               101           102           103           104           105 
      1  -0.158614D+00 -0.101786D+01 -0.459412D+00 -0.403277D-01  0.632688D+00
      2   0.100629D+01  0.119298D+01 -0.403277D-01 -0.193046D+01 -0.129905D+01
      3   0.119298D+01  0.223888D+01  0.632688D+00 -0.129905D+01 -0.167273D+01
               106           107           108           109           110 
      1  -0.165456D+01  0.491842D+00  0.601255D+00 -0.751571D+01  0.166315D+01
      2   0.491842D+00 -0.161732D+01 -0.201924D+01  0.166315D+01 -0.175504D+01
      3   0.601255D+00 -0.201924D+01 -0.510271D+01 -0.252928D+01  0.931410D+00
               111           112           113           114           115 
      1  -0.252928D+01  0.415284D+01 -0.189788D+01  0.178372D+01 -0.236936D+01
      2   0.931410D+00 -0.189788D+01  0.163251D+01 -0.686651D+00  0.974725D+00
      3  -0.154689D+01  0.178372D+01 -0.686651D+00  0.120994D+01 -0.197821D+01
               116           117           118           119           120 
      1   0.974725D+00 -0.197821D+01 -0.326693D+01 -0.210513D+01  0.669449D+00
      2  -0.501086D+00  0.421654D+00 -0.210513D+01 -0.240582D+01  0.979439D+00
      3   0.421654D+00 -0.191381D+01  0.669449D+00  0.979439D+00 -0.675639D+00
               121           122           123           124           125 
      1  -0.280660D+01 -0.351946D+01  0.107165D+01  0.209249D+01  0.194545D+01
      2  -0.351946D+01 -0.606575D+01  0.149776D+01  0.194545D+01  0.281365D+01
      3   0.107165D+01  0.149776D+01 -0.155965D+01 -0.907511D+00 -0.168805D+01
               126           127           128           129           130 
      1  -0.907511D+00  0.229292D+01  0.209829D+01  0.173610D+01  0.264823D+01
      2  -0.168805D+01  0.209829D+01 -0.269460D+01  0.592203D+00 -0.339878D+01
      3   0.147905D+01  0.173610D+01  0.592203D+00  0.427232D-01  0.749896D+00
               131           132           133           134           135 
      1  -0.339878D+01  0.749896D+00  0.181577D+01  0.985222D+00 -0.476822D-01
      2  -0.523102D+01  0.208986D+01  0.985222D+00  0.371605D+01 -0.284987D+01
      3   0.208986D+01 -0.150415D+01 -0.476822D-01 -0.284987D+01 -0.683134D+01
               136           137           138           139           140 
      1   0.384351D+00 -0.415738D+01 -0.688976D+00 -0.409345D+01  0.432352D+01
      2  -0.415738D+01  0.393265D+01 -0.125037D+01  0.432352D+01  0.396170D+00
      3  -0.688976D+00 -0.125037D+01 -0.155042D+00 -0.104875D+01 -0.999661D+00
               141           142           143           144           145 
      1  -0.104875D+01 -0.131102D+01 -0.784613D+00 -0.195697D+00  0.113323D+01
      2  -0.999661D+00 -0.784613D+00 -0.263055D+01  0.151247D+01  0.163576D+01
      3   0.201707D+01 -0.195697D+00  0.151247D+01  0.691328D+01 -0.698327D+00
               146           147           148           149           150 
      1   0.163576D+01 -0.698327D+00  0.167787D+01  0.240941D+01 -0.370529D+00
      2   0.218671D+01 -0.386589D+00  0.240941D+01  0.109140D+02 -0.180918D+01
      3  -0.386589D+00  0.224337D+00 -0.370529D+00 -0.180918D+01  0.129745D+01
               151           152           153           154           155 
      1  -0.111081D+01 -0.802996D+00  0.487830D+00 -0.243836D+00  0.126320D+00
      2  -0.802996D+00 -0.362483D+01  0.207267D+01  0.126320D+00  0.240378D+00
      3   0.487830D+00  0.207267D+01 -0.547695D+00  0.792269D+00 -0.901190D-01
               156           157           158           159           160 
      1   0.792269D+00  0.514837D-01  0.403896D+00  0.193014D-01  0.158972D+01
      2  -0.901190D-01  0.403896D+00  0.184051D+01  0.134887D+01  0.114977D+00
      3  -0.955651D-01  0.193014D-01  0.134887D+01  0.127957D+01  0.472022D+00
               161           162           163           164           165 
      1   0.114977D+00  0.472022D+00  0.362394D+00  0.457254D+00 -0.750175D+00
      2   0.213608D+01  0.282536D+01  0.457254D+00 -0.194287D+00  0.174500D+00
      3   0.282536D+01  0.782122D+01 -0.750175D+00  0.174500D+00  0.399066D+00
               166           167           168           169           170 
      1  -0.173445D+00 -0.553768D+00  0.203327D-01 -0.171669D+01 -0.302815D+00
      2  -0.553768D+00 -0.404601D+00 -0.818022D+00 -0.302815D+00 -0.138830D+01
      3   0.203327D-01 -0.818022D+00 -0.115156D+01 -0.731450D+00  0.282317D+00
               171           172           173           174           175 
      1  -0.731450D+00 -0.508581D+01  0.356278D+01 -0.185904D+00  0.363051D+01
      2   0.282317D+00  0.356278D+01 -0.392318D+01  0.508006D+00 -0.377876D+01
      3  -0.799796D+01 -0.185904D+00  0.508006D+00 -0.708964D+00  0.384722D+00
               176           177           178           179           180 
      1  -0.377876D+01  0.384722D+00  0.704805D+00 -0.152489D+00 -0.784061D+00
      2   0.582556D+01 -0.175056D+00 -0.152489D+00  0.762446D+00  0.753571D+00
      3  -0.175056D+00  0.561853D+00 -0.784061D+00  0.753571D+00 -0.541655D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.201080D+01  0.450451D+00  0.667526D+00 -0.116399D+01 -0.599293D+00
      2  -0.674869D+01 -0.114022D+01 -0.707405D+01  0.807847D+00 -0.302764D+01
      3   0.499264D+01 -0.971963D+01 -0.400813D+01 -0.541660D+01 -0.342970D+01
                 6             7             8             9            10 
      1  -0.330261D+01  0.145093D+01  0.532983D+01 -0.372300D+01  0.406792D+01
      2   0.185118D+01 -0.136395D+02 -0.345768D+01  0.973411D+01 -0.162916D+02
      3   0.576372D+01 -0.555380D+01  0.250940D+01 -0.245354D-01 -0.685306D+01
                11            12            13            14            15 
      1   0.419185D+01 -0.227366D+01  0.415588D+01 -0.651377D+00  0.684286D+01
      2  -0.795284D+01  0.529706D+01 -0.532184D+01  0.810095D+01 -0.249091D+01
      3  -0.614569D+01  0.411838D+01  0.148204D+01  0.530885D+01 -0.907909D+01
                16            17            18            19            20 
      1   0.804751D-01  0.148327D+02  0.748570D+00 -0.462787D+01  0.261865D+01
      2  -0.131421D+02 -0.461880D+01  0.967826D+01 -0.464581D+01  0.701625D+01
      3  -0.173609D+01 -0.104454D+02 -0.694556D-01  0.255511D+01  0.156053D+01
                21            22            23            24            25 
      1  -0.430897D+01  0.285407D+01  0.443907D+01 -0.850622D+01 -0.476334D+01
      2   0.211167D+01  0.815293D+01 -0.546642D+01  0.479045D+01 -0.962638D+01
      3  -0.279519D+01  0.683023D+01 -0.735732D+01  0.291308D+01 -0.286315D+01
                26            27            28            29            30 
      1  -0.316412D+01 -0.675301D+01  0.376529D+01 -0.115389D+01 -0.142350D+00
      2   0.535007D+01  0.152969D+01  0.966106D+01 -0.899813D+01  0.616597D+00
      3   0.329774D+01  0.216345D+01  0.498962D+01 -0.715171D+01  0.752389D+01
                31            32            33            34            35 
      1  -0.207519D+01  0.166613D+01 -0.129086D+01  0.189428D+01  0.594230D+01
      2  -0.137069D+02 -0.136363D+01  0.192944D+01 -0.102350D+01 -0.135191D+01
      3  -0.585067D+00 -0.496835D+01  0.228111D+01  0.998972D+01  0.236425D+01
                36            37            38            39            40 
      1   0.854108D+00 -0.322409D+01 -0.197055D+01  0.390483D+01  0.140936D+01
      2   0.300836D+01  0.126816D+01  0.418821D+01  0.406456D+01  0.423138D+01
      3  -0.343641D+01 -0.211039D+00 -0.313854D+01 -0.751281D+00  0.695156D+01
                41            42            43            44            45 
      1  -0.651689D+00 -0.985081D+01  0.166996D+01 -0.289045D+01 -0.426334D+01
      2  -0.780792D+01 -0.457550D+01  0.418924D+01 -0.203294D+01 -0.826855D+01
      3   0.110916D+02  0.314855D+01  0.443343D+01  0.621633D+01  0.271429D+01
                46            47            48            49            50 
      1   0.120828D+01  0.377680D+00 -0.113395D+01  0.569379D+00 -0.823361D+00
      2  -0.259386D+01 -0.114111D+01  0.430434D+01  0.134892D+00 -0.650629D+00
      3  -0.239328D+00 -0.165283D+01 -0.553984D+00  0.195604D+01  0.106393D+01
                51            52            53            54            55 
      1  -0.114323D+01 -0.275519D+01  0.159594D+01  0.565846D+01 -0.334525D+01
      2   0.799026D-02  0.501053D+01  0.383801D+01 -0.164420D+02  0.102771D+02
      3   0.687079D+00 -0.507147D+00  0.471421D+01 -0.581301D+00  0.594549D+01
                56            57            58            59            60 
      1  -0.108414D+01 -0.161882D+01  0.461559D+00  0.899199D+00 -0.109114D+01
      2   0.286272D+01  0.644778D+01  0.165708D+00  0.110051D+01  0.543510D+00
      3  -0.303604D+01  0.141398D+01  0.643536D+00 -0.121811D+01 -0.178339D+01
                61            62            63            64            65 
      1  -0.283257D+01 -0.883601D-01 -0.120023D+01  0.125675D+01  0.130886D+01
      2   0.688407D+01  0.331338D+01  0.412652D+01  0.582925D+00 -0.135959D+01
      3   0.380498D+01 -0.317471D+01  0.796885D+00  0.318450D-01 -0.243708D+01
                66            67            68            69            70 
      1   0.342766D+01 -0.500895D+00  0.355882D+01  0.365398D+01  0.195914D+01
      2  -0.270298D+01 -0.156960D+01 -0.136063D+00 -0.152527D+01 -0.320842D+01
      3  -0.152094D+01 -0.842098D-01  0.105062D+00 -0.805251D+00 -0.875006D+00
                71            72            73            74            75 
      1   0.531241D+01  0.991348D+01 -0.117241D+01 -0.223118D+01 -0.141982D+00
      2  -0.705340D+00 -0.456104D+01  0.842132D+00  0.117648D+01  0.148347D+01
      3  -0.697126D+00 -0.250455D+01  0.112962D+01 -0.921696D+00  0.966609D+00
                76            77            78            79            80 
      1  -0.168676D+01 -0.774149D+01 -0.173442D+01  0.797348D+00  0.126386D+01
      2   0.325185D+01  0.143595D+01 -0.661054D-01 -0.130239D+01 -0.288959D+00
      3   0.588748D+01  0.105476D+01 -0.297328D+00  0.444079D+00  0.494098D+00
                81            82            83            84            85 
      1  -0.683699D-02 -0.225290D+00 -0.150605D+01  0.840234D-01  0.843216D-01
      2  -0.294401D-01  0.505106D-01  0.117108D+01  0.397475D+01 -0.139634D+00
      3   0.105388D+00  0.339073D+00 -0.341986D+01 -0.202740D+01 -0.188301D+00
                86            87            88            89            90 
      1   0.102806D+01 -0.961458D+00  0.320871D+00  0.251212D+01 -0.562049D+00
      2  -0.110468D+00 -0.818388D+00 -0.306199D+01 -0.104000D+00 -0.578918D+01
      3   0.353644D+01  0.206344D+01 -0.255692D+01  0.347409D+01  0.253402D+01
                91            92            93            94            95 
      1   0.180546D+01 -0.650420D+01  0.197081D+01 -0.884782D+01 -0.467569D+01
      2  -0.215289D+01  0.116703D+02  0.826131D+01  0.138078D+02  0.533835D+01
      3  -0.985212D+01  0.431739D+01 -0.132110D+02  0.135036D+02  0.577017D+01
                96            97            98            99           100 
      1   0.359329D+00  0.329892D+01  0.480320D+01  0.169955D+01 -0.785463D+00
      2  -0.640597D+01  0.361591D+00 -0.742135D+01 -0.836559D+01  0.560307D+01
      3   0.132012D+01 -0.139665D+02 -0.960365D+00  0.507175D+01 -0.306284D+01
               101           102           103           104           105 
      1  -0.473893D+00  0.176873D+01  0.614551D+00  0.492933D+00 -0.226950D+01
      2  -0.304098D+01 -0.567788D+01 -0.299446D+01  0.343464D+01  0.495720D+01
      3   0.189807D+01  0.405971D+01  0.217256D+01 -0.432097D+01 -0.408236D+01
               106           107           108           109           110 
      1   0.642958D+00  0.125377D+01 -0.451670D+01 -0.372854D+01  0.304592D+01
      2  -0.578326D+01  0.544666D+01  0.131907D+02  0.203560D+01 -0.132615D+01
      3   0.406938D+01 -0.434262D+01 -0.631712D+01  0.971997D+01 -0.870523D+01
               111           112           113           114           115 
      1  -0.153502D+01  0.240753D+01 -0.227156D+01  0.185748D+00 -0.247857D+01
      2   0.529098D+01 -0.281720D+01  0.880505D+00 -0.313961D+01  0.171890D+01
      3   0.483258D+01 -0.640317D+01  0.707686D+01 -0.277297D+01  0.483311D+01
               116           117           118           119           120 
      1   0.208684D+01 -0.153368D+01  0.193684D+01  0.262427D+01 -0.214626D+01
      2  -0.495630D+00  0.492412D+01 -0.236906D+01 -0.359488D+01  0.318245D+01
      3  -0.312689D+01  0.262237D+01 -0.199850D+01 -0.603151D+01  0.214401D+01
               121           122           123           124           125 
      1   0.313792D+01  0.463994D+01 -0.527109D+01 -0.166709D+01 -0.209669D+01
      2  -0.357275D+01 -0.513369D+01  0.572713D+01  0.120041D+01  0.461786D+01
      3  -0.369155D+01 -0.134234D+02  0.311517D+01  0.207734D+01  0.593800D+01
               126           127           128           129           130 
      1   0.344376D+01 -0.284960D+01 -0.329108D+01 -0.272139D+00 -0.291118D+01
      2  -0.460595D+01  0.188397D+01  0.284879D+01  0.185698D+01  0.928060D+00
      3  -0.368145D+01  0.496476D+01  0.778781D+01  0.357503D+01  0.131786D+02
               131           132           133           134           135 
      1  -0.868575D+01  0.228432D+01  0.129066D+01  0.112196D+02  0.145278D+02
      2   0.283015D+01 -0.487521D+00 -0.430251D+01 -0.201559D+01 -0.408548D+01
      3  -0.599977D+01 -0.700280D+00  0.310082D+01 -0.165199D+01  0.100682D+01
               136           137           138           139           140 
      1   0.420298D+01  0.213615D+00  0.142950D+01 -0.798963D+00  0.432405D+01
      2   0.182727D+01 -0.229388D+01  0.224273D+01 -0.210439D+01  0.414884D+01
      3  -0.890407D+01 -0.681248D+01 -0.369602D+01 -0.700603D+00  0.940859D+01
               141           142           143           144           145 
      1  -0.526428D+01  0.599627D+00  0.125471D+01 -0.116662D+02  0.195611D+01
      2  -0.271773D+01 -0.285014D+01 -0.272825D+01 -0.544163D+01 -0.272140D+00
      3  -0.234611D+01 -0.334536D+01 -0.404347D+01  0.187095D+01  0.194417D+01
               146           147           148           149           150 
      1   0.183059D+01 -0.131033D+01  0.154092D+01  0.670277D+01 -0.636217D+01
      2  -0.115178D+01  0.108295D+01  0.743450D-02 -0.238940D+01  0.155119D+01
      3   0.316990D-01 -0.123912D+01  0.562961D+01 -0.271693D+01  0.213231D+00
               151           152           153           154           155 
      1  -0.113651D+01 -0.451085D+01  0.195010D+01 -0.188990D+01  0.185287D+00
      2  -0.965985D+00  0.156631D+01 -0.310875D+00  0.535941D+00 -0.509260D-01
      3  -0.350979D+01  0.112829D+01 -0.192417D+00 -0.111672D+01 -0.147624D+01
               156           157           158           159           160 
      1   0.520536D+00  0.193876D+00 -0.176670D+01 -0.318402D+01 -0.609067D+00
      2   0.925931D+00 -0.512600D+00  0.590428D+00  0.100185D+01 -0.300262D+01
      3   0.164319D+01  0.192803D+00  0.163615D-01 -0.567242D+00  0.436463D+01
               161           162           163           164           165 
      1  -0.176824D+01 -0.171027D+02  0.122618D+01 -0.328808D-01 -0.101341D+01
      2   0.157508D+01  0.525295D+01  0.121933D+01  0.171811D+00  0.217428D+00
      3  -0.109936D+01 -0.611625D+00  0.117578D+01 -0.171578D+00 -0.124011D+01
               166           167           168           169           170 
      1   0.763035D+00  0.207558D+01  0.124568D+01  0.104555D+01  0.387045D+01
      2  -0.728436D+00 -0.154589D+00  0.145794D+01 -0.423353D+01 -0.291604D+00
      3   0.489900D+00 -0.165197D+01 -0.664310D+00 -0.329157D+01 -0.160913D+01
               171           172           173           174           175 
      1   0.121379D+02 -0.158820D+01  0.140069D+01  0.212328D+01  0.864323D+00
      2   0.742107D+01 -0.178490D+01  0.122812D+01  0.264061D+01  0.197993D+01
      3  -0.800052D+00 -0.586610D+01 -0.113547D+01  0.482422D+00  0.526739D+01
               176           177           178           179           180 
      1  -0.224290D+01 -0.288680D+01  0.150731D+01 -0.398944D+00  0.677349D+00
      2  -0.161986D+01 -0.159089D+01 -0.338237D+00 -0.511503D+00  0.107410D+00
      3   0.970085D+00  0.519372D+00  0.108785D+01  0.101464D+01 -0.667011D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.250557D+02 -0.147770D+02 -0.972573D+01  0.101461D+01  0.274568D+01
      2   0.164886D+02  0.141688D+02  0.184723D+01  0.212405D+01  0.614573D+01
      3   0.856708D+01  0.608245D+00  0.787850D+01 -0.313866D+01 -0.889142D+01
      4  -0.143720D+02 -0.680373D+01 -0.601923D+01  0.470514D+01  0.765332D+01
      5  -0.115840D+02 -0.302793D+01 -0.128943D+02 -0.905517D+00 -0.320071D+01
      6  -0.371173D+01 -0.356144D-01 -0.105111D+01 -0.829616D-01 -0.806443D+00
                 6             7             8             9            10 
      1  -0.194139D+01 -0.132778D+02 -0.448940D+01 -0.106185D+02  0.278054D+01
      2   0.122120D+01  0.218731D+01 -0.291377D+01  0.176881D+02 -0.992381D+01
      3   0.720186D+00  0.110905D+02  0.740317D+01 -0.706966D+01  0.714327D+01
      4  -0.518882D+01 -0.996320D+01 -0.403613D+01 -0.861458D+01  0.141242D+02
      5   0.315038D+00 -0.174167D+02 -0.507379D+01  0.172744D+02  0.455074D+01
      6   0.629654D+00 -0.592403D+01 -0.818671D+00  0.111660D+02 -0.127760D+01
                11            12            13            14            15 
      1   0.937945D-01 -0.555898D+01 -0.408822D+01 -0.292658D+01  0.309648D+01
      2   0.855127D+01  0.583208D+00  0.869877D+01 -0.133367D+02 -0.532090D+01
      3  -0.864506D+01  0.497577D+01 -0.461055D+01  0.162632D+02  0.222443D+01
      4  -0.167773D+02 -0.268350D+01 -0.272065D+02  0.194142D+02  0.103396D+02
      5  -0.191732D+01  0.132742D+01 -0.595093D+01  0.586977D+01  0.415974D+01
      6   0.598258D+01  0.839053D-02  0.208907D+01 -0.148526D+02 -0.915792D+01
                16            17            18            19            20 
      1   0.385010D+01 -0.366568D+00  0.453447D+01 -0.600338D+01  0.430462D+01
      2   0.140043D+01 -0.874763D+01 -0.100670D+02  0.310931D+01 -0.340353D+01
      3  -0.525053D+01  0.911420D+01  0.553254D+01  0.289408D+01 -0.901091D+00
      4  -0.113480D+02  0.170212D+02  0.578988D+01 -0.683463D+01  0.525202D+01
      5   0.520815D+01  0.187392D+01  0.674933D+01 -0.660714D+01  0.233806D+01
      6   0.882766D+00 -0.300276D+01 -0.454232D+01 -0.267258D+01  0.171628D+01
                21            22            23            24            25 
      1   0.562741D+01  0.110937D+02  0.153498D+02  0.552209D+01  0.956021D+00
      2   0.539247D+01 -0.990613D+01 -0.206601D+02  0.106559D+02  0.288299D+01
      3  -0.110199D+02 -0.118761D+01  0.531032D+01 -0.161780D+02 -0.383901D+01
      4   0.104931D+01  0.658439D+01 -0.701812D+01  0.529143D+00  0.298902D+01
      5   0.254358D+01  0.422972D+01  0.232059D+01 -0.237109D+01  0.281671D+01
      6   0.168801D+01  0.355504D+01  0.140569D+02  0.325010D-01  0.928387D-01
                26            27            28            29            30 
      1   0.537935D+01  0.122049D+02 -0.106202D+01 -0.626639D+01  0.680993D+01
      2   0.652508D+01  0.101674D+02  0.301521D+01 -0.497581D+00 -0.474394D+01
      3  -0.119044D+02 -0.223723D+02 -0.195319D+01  0.676397D+01 -0.206599D+01
      4  -0.721870D+00 -0.300457D+01 -0.168747D+01 -0.161332D+01 -0.110076D+02
      5  -0.245988D+01 -0.849464D+01  0.924045D+01 -0.120240D+02 -0.172150D+02
      6   0.273756D+01  0.885968D+00 -0.615267D+01 -0.407190D+01  0.152177D+01
                31            32            33            34            35 
      1  -0.940613D+01  0.276029D+01 -0.134700D+02 -0.969521D+00 -0.114401D+02
      2   0.270568D+01  0.509318D+00  0.545540D+01 -0.460482D+01  0.551428D+01
      3   0.670045D+01 -0.326961D+01  0.801460D+01  0.557434D+01  0.592581D+01
      4  -0.683903D+01  0.653776D+01 -0.143807D+01 -0.108032D+02 -0.661861D+01
      5  -0.182106D+02 -0.235311D+01  0.541638D+01 -0.143526D+02  0.479154D+01
      6  -0.153612D+01 -0.287912D+01 -0.532641D+01  0.144268D+01 -0.153228D+01
                36            37            38            39            40 
      1  -0.126168D+02  0.191595D+02 -0.717587D+01 -0.263469D+01 -0.330817D+01
      2   0.823984D+01  0.754449D+00 -0.795608D+01  0.144036D+01 -0.117049D+02
      3   0.437701D+01 -0.199140D+02  0.151320D+02  0.119433D+01  0.150131D+02
      4   0.398503D+01 -0.312740D+02  0.314130D+02  0.638782D+01  0.364091D+02
      5   0.205959D+02 -0.588025D+01  0.363561D+01  0.799853D+01  0.614258D+01
      6  -0.763162D+01  0.582619D+01 -0.369081D+01 -0.543587D+01 -0.540186D+01
                41            42            43            44            45 
      1  -0.123136D+02 -0.622791D+01  0.803796D-01 -0.544889D+01 -0.681324D+01
      2   0.395098D+02  0.750523D+01 -0.627951D+00  0.887965D+01  0.371160D+01
      3  -0.271962D+02 -0.127731D+01  0.547572D+00 -0.343076D+01  0.310163D+01
      4  -0.477338D+02 -0.110563D+02  0.113336D+02 -0.136646D+02 -0.147643D+02
      5  -0.708468D+01 -0.972754D+01  0.108246D+02 -0.119731D+02 -0.121405D+02
      6   0.173377D+02  0.165567D+02 -0.775462D+01  0.192154D+02  0.133809D+02
                46            47            48            49            50 
      1   0.963800D+01  0.308598D+01 -0.489001D+01 -0.556215D+00 -0.207336D+01
      2  -0.895377D+01 -0.259622D+01  0.545012D+01  0.150129D+01  0.202810D+00
      3  -0.684234D+00 -0.489766D+00 -0.560112D+00 -0.945073D+00  0.187055D+01
      4   0.582296D+01  0.488106D+01 -0.299399D+01  0.400273D+01  0.160260D+01
      5  -0.832574D+01 -0.171247D+01  0.113592D+02  0.800040D+00 -0.383182D+01
      6  -0.326909D+01 -0.137456D+01  0.235497D+01 -0.257637D+01 -0.206862D+01
                51            52            53            54            55 
      1   0.192450D+01 -0.676864D+01  0.271561D+01 -0.203219D+00  0.514784D+02
      2  -0.245020D+01  0.111510D+02 -0.455346D-01 -0.196735D+02 -0.287074D+02
      3   0.525704D+00 -0.438235D+01 -0.267008D+01  0.198767D+02 -0.227710D+02
      4  -0.445263D+01 -0.418512D+01 -0.635181D+01  0.782980D+01  0.225578D+02
      5   0.390946D+00  0.176282D+02  0.506713D+01 -0.300005D+02  0.163496D+02
      6   0.666923D+01  0.559935D+01  0.583606D+01 -0.130296D+02  0.352919D+01
                56            57            58            59            60 
      1   0.108009D+02  0.124380D+02 -0.184640D+00  0.345296D+01  0.139229D+01
      2  -0.524325D+01 -0.735923D+01  0.215426D+01  0.234134D+00  0.225513D+00
      3  -0.555768D+01 -0.507874D+01 -0.196962D+01 -0.368709D+01 -0.161781D+01
      4   0.138913D+02  0.517821D+01  0.104902D+02  0.579207D+01  0.385246D+01
      5   0.311303D+01  0.118124D+02  0.156523D+01  0.413592D+01  0.140690D+01
      6   0.125810D+01  0.311657D+01  0.132541D+01  0.814320D+00  0.263888D+01
                61            62            63            64            65 
      1   0.196711D+02  0.381046D+01  0.964839D+01  0.173378D+01 -0.763619D+00
      2  -0.127042D+02 -0.443623D+00 -0.903170D+01 -0.567687D+01  0.469692D+00
      3  -0.696690D+01 -0.336684D+01 -0.616685D+00  0.394308D+01  0.293927D+00
      4   0.937599D+01  0.716344D+01  0.725198D+01  0.282526D+00  0.133403D+01
      5   0.161079D+02  0.578579D+01  0.991096D+01  0.514431D+01  0.728219D+00
      6   0.485018D+01  0.333956D+01  0.180777D+01  0.216140D+00  0.113773D+01
                66            67            68            69            70 
      1  -0.508209D+01 -0.101165D+01 -0.435051D+01 -0.526950D+01 -0.243672D+01
      2  -0.507196D+01  0.100526D+01 -0.999627D+00 -0.593229D+01 -0.233464D+01
      3   0.101540D+02  0.638136D-02  0.535014D+01  0.112018D+02  0.477136D+01
      4  -0.595233D+00 -0.983353D+00  0.152011D+01  0.117139D+01 -0.214813D+01
      5   0.890651D+01  0.112121D+01  0.114924D+01  0.156160D+01  0.605208D+01
      6  -0.285711D+01  0.619296D+00  0.752393D+00  0.375328D+01 -0.801062D+00
                71            72            73            74            75 
      1  -0.170391D+01 -0.250825D+02  0.533254D+00 -0.859113D+00  0.286039D+00
      2  -0.363691D+01 -0.203056D+02  0.257245D+01  0.180008D+01 -0.179298D+00
      3   0.534082D+01  0.453881D+02 -0.310570D+01 -0.940966D+00 -0.106741D+00
      4   0.781163D+00  0.108423D+01  0.450582D+01  0.866385D+01 -0.230227D+01
      5   0.810486D+00  0.796009D+01 -0.250507D+01 -0.370051D+01  0.344897D+01
      6   0.468604D+01 -0.737465D+01 -0.257262D+01 -0.299289D+01  0.205177D+01
                76            77            78            79            80 
      1  -0.242832D+01 -0.223237D+02  0.832701D+01 -0.734041D+00  0.260132D+01
      2   0.461697D+01  0.324686D+02 -0.701074D+01  0.403441D+00 -0.332639D+00
      3  -0.218865D+01 -0.101448D+02 -0.131627D+01  0.330600D+00 -0.226868D+01
      4   0.762807D+01  0.830798D+01 -0.218698D+01 -0.110788D+01 -0.964044D+00
      5  -0.233005D+01 -0.275159D+01  0.184695D+01  0.192305D+01  0.223075D+01
      6  -0.363398D+01 -0.211053D+02  0.119430D+02  0.154251D+01  0.855822D+01
                81            82            83            84            85 
      1  -0.591066D+01  0.157294D+02 -0.124844D+01 -0.886972D+01 -0.224967D+01
      2   0.160620D+01 -0.135593D+02  0.199266D+01  0.101655D+02  0.281907D+01
      3   0.430446D+01 -0.217012D+01 -0.744228D+00 -0.129577D+01 -0.569402D+00
      4   0.178533D+01 -0.408547D+01  0.653291D+01  0.576973D+01  0.660363D+01
      5  -0.824808D+00 -0.179392D+02  0.592581D+01  0.198264D+02  0.645199D+01
      6  -0.549764D+01  0.425902D+01 -0.131748D+01 -0.262112D+01 -0.353652D+01
                86            87            88            89            90 
      1  -0.580276D+00  0.154327D+01 -0.794601D+01  0.570894D+00  0.214994D+01
      2  -0.302776D+00 -0.258176D+01  0.115104D+02 -0.238773D+01 -0.167936D+02
      3   0.883052D+00  0.103850D+01 -0.356437D+01  0.181684D+01  0.146436D+02
      4  -0.506449D+01 -0.587467D+01  0.439371D+01 -0.476033D+01 -0.745760D+01
      5  -0.661000D+01 -0.748205D+01  0.197755D+02 -0.644970D+01 -0.290285D+02
      6   0.394694D+01  0.826681D+01 -0.455391D+01  0.535105D+01  0.705925D+01
                91            92            93            94            95 
      1  -0.179964D+02  0.944396D+01 -0.176255D+02  0.171378D+02 -0.102177D+02
      2   0.117398D+02 -0.125581D+02  0.105028D+02 -0.187117D+02 -0.117162D+01
      3   0.625654D+01  0.311416D+01  0.712273D+01  0.157395D+01  0.113893D+02
      4   0.857991D+01 -0.978770D+01  0.174834D+02 -0.125675D+02 -0.166804D+02
      5  -0.950795D+01  0.212908D+02  0.362441D+01  0.271857D+02  0.810366D+01
      6   0.575850D+01  0.769925D+01  0.789046D+01  0.804667D+01  0.628662D+01
                96            97            98            99           100 
      1   0.254352D+02 -0.131531D+02  0.234956D+02  0.109926D+02 -0.515843D+01
      2  -0.797106D+01  0.117068D+02 -0.597979D+01 -0.455495D+01  0.144437D+01
      3  -0.174642D+02  0.144632D+01 -0.175158D+02 -0.643761D+01  0.371407D+01
      4   0.119337D+02  0.221898D+02  0.147159D+02 -0.296178D+01 -0.332506D+01
      5  -0.189590D+01  0.375079D+00 -0.340317D+01 -0.724040D+01  0.356269D+00
      6  -0.407550D+01  0.720209D+01 -0.490236D+01 -0.454973D+01  0.229488D+01
               101           102           103           104           105 
      1   0.353359D+01  0.103585D+02  0.307057D+01 -0.631120D+01 -0.959913D+01
      2  -0.208029D+01 -0.234513D+01 -0.626550D+00  0.577464D+01  0.403162D+01
      3  -0.145330D+01 -0.801335D+01 -0.244402D+01  0.536562D+00  0.556751D+01
      4  -0.752040D+00 -0.179108D+01  0.381633D+01  0.634807D+01  0.243442D+01
      5  -0.332923D+01 -0.380116D+01 -0.204079D+01  0.313229D+01  0.545902D+01
      6  -0.463875D+01 -0.584625D+01 -0.228573D+01  0.672452D+01  0.949659D+01
               106           107           108           109           110 
      1   0.111983D+02 -0.954741D+01 -0.174692D+02  0.517165D+02 -0.122860D+02
      2  -0.462352D+01  0.364106D+01 -0.122751D+01 -0.312562D+02  0.921975D+01
      3  -0.657482D+01  0.590634D+01  0.186967D+02 -0.204603D+02  0.306622D+01
      4   0.103372D+01  0.426333D+01  0.437098D+01 -0.657260D+01  0.115490D+02
      5   0.244274D+01  0.610776D+01  0.153817D+02  0.215174D+02 -0.674736D+01
      6  -0.255627D+01  0.994173D+01  0.154155D+02 -0.998213D+00  0.176699D+01
               111           112           113           114           115 
      1   0.146737D+02 -0.243151D+02  0.102842D+02 -0.837651D+01  0.153573D+02
      2  -0.118084D+02  0.157847D+02 -0.529633D+01  0.625854D+01 -0.125745D+02
      3  -0.286537D+01  0.853040D+01 -0.498791D+01  0.211797D+01 -0.278278D+01
      4  -0.350236D+01  0.112100D+02 -0.974939D+01  0.322668D+01 -0.357015D+01
      5   0.144073D+02 -0.125432D+02  0.515483D+01 -0.821553D+01  0.161665D+02
      6  -0.470625D+00  0.216952D+01 -0.357961D+01  0.243533D+01 -0.909746D+00
               116           117           118           119           120 
      1  -0.537603D+01  0.794827D+01  0.180275D+02  0.951429D+01 -0.284706D+01
      2   0.424693D+01 -0.893270D+01 -0.506374D+01  0.146819D+01 -0.418795D+00
      3   0.112910D+01  0.984430D+00 -0.129638D+02 -0.109825D+02  0.326585D+01
      4   0.244022D+01 -0.211205D+01  0.171204D+02  0.189940D+02 -0.692059D+01
      5  -0.428587D+01  0.130204D+02 -0.364863D+01 -0.589045D+01  0.614627D+01
      6   0.319159D+01  0.413565D+00 -0.240529D+01 -0.139854D+01  0.162380D+01
               121           122           123           124           125 
      1   0.113622D+02  0.564509D+01 -0.378523D+01 -0.857139D+01 -0.484888D+01
      2   0.306189D+01  0.147787D+02 -0.318558D+01  0.155502D+01 -0.352445D+01
      3  -0.144241D+02 -0.204238D+02  0.697082D+01  0.701637D+01  0.837333D+01
      4   0.247969D+02  0.351764D+02 -0.933251D+01 -0.126824D+02 -0.153100D+02
      5  -0.595866D+01 -0.805254D+01  0.861430D+01  0.748058D+01  0.925491D+01
      6  -0.243143D+01 -0.421787D+01  0.673435D+01  0.312995D+01  0.706986D+01
               126           127           128           129           130 
      1   0.832615D+00 -0.180722D+01  0.852806D+01 -0.177247D-01  0.133947D+02
      2   0.110304D+01  0.492290D+01 -0.138971D+02  0.325194D+01 -0.182539D+02
      3  -0.193566D+01 -0.311568D+01  0.536900D+01 -0.323421D+01  0.485917D+01
      4   0.921631D+01  0.235854D+01 -0.670824D+00  0.543946D+01  0.290274D+01
      5  -0.924482D+01  0.199821D+01  0.184220D+01 -0.944202D+00 -0.882231D+00
      6  -0.576888D+01  0.646308D+01  0.348248D+01  0.852150D-01  0.485775D+01
               131           132           133           134           135 
      1   0.179093D+02 -0.489377D+01 -0.138614D+00 -0.455898D+01  0.154640D+02
      2  -0.325136D+02  0.119184D+02  0.318646D+01  0.178831D+02 -0.104622D+02
      3   0.146044D+02 -0.702467D+01 -0.304785D+01 -0.133241D+02 -0.500183D+01
      4  -0.176112D+02  0.589258D+01  0.473144D+01  0.680794D+01 -0.289920D+01
      5   0.420790D+01 -0.329290D+00  0.861229D+00 -0.332658D+01 -0.627243D+01
      6   0.146014D+02 -0.731759D+01 -0.133691D+01 -0.140433D+02 -0.279723D+02
               136           137           138           139           140 
      1   0.327961D+01  0.132901D+01  0.138433D+01 -0.478336D+01 -0.807583D+01
      2  -0.131294D+02  0.106824D+02 -0.312717D+01  0.157999D+02 -0.200860D+01
      3   0.984976D+01 -0.120114D+02  0.174283D+01 -0.110165D+02  0.100844D+02
      4   0.136040D+02 -0.217739D+02 -0.524884D+00 -0.199771D+02  0.148395D+02
      5   0.183364D+01  0.283308D+01  0.219298D+01  0.395652D+01 -0.111706D+01
      6  -0.298564D+01 -0.243750D+01 -0.238447D+01 -0.321874D+01 -0.346422D+01
               141           142           143           144           145 
      1   0.552919D+01  0.123351D+01  0.380206D+01  0.840711D+01 -0.122435D+01
      2  -0.822414D+00  0.147493D+00 -0.518020D+01  0.113598D+02  0.729805D+01
      3  -0.470678D+01 -0.138100D+01  0.137813D+01 -0.197669D+02 -0.607370D+01
      4  -0.165995D+01  0.143320D+00  0.384546D+01  0.572076D+00  0.866271D+01
      5  -0.327958D+01  0.286250D+01 -0.833234D+00 -0.980671D+01 -0.155989D+01
      6   0.573702D+01  0.597425D+00  0.391899D+01  0.177647D+02 -0.405274D+01
               146           147           148           149           150 
      1  -0.353665D+01  0.765020D-01 -0.543067D+01 -0.352132D+02  0.598306D+01
      2   0.108152D+02 -0.142370D+01  0.130255D+02  0.652283D+02 -0.109965D+02
      3  -0.727852D+01  0.134720D+01 -0.759486D+01 -0.300151D+02  0.501343D+01
      4   0.146449D+02 -0.350245D+01  0.124121D+02  0.246505D+02 -0.410746D+01
      5  -0.194775D+01  0.261719D+01 -0.152571D+01 -0.274951D+01  0.255209D+01
      6  -0.262946D+01  0.193313D+01 -0.290828D+01 -0.145006D+02  0.104583D+02
               151           152           153           154           155 
      1   0.136243D+01  0.115353D+02 -0.761571D+01  0.408750D+00  0.285415D-01
      2  -0.347454D+01 -0.189750D+02  0.871901D+01 -0.240613D+01  0.778875D+00
      3   0.211210D+01  0.743969D+01 -0.110330D+01  0.199738D+01 -0.807417D+00
      4  -0.508599D+01 -0.762280D+01  0.433201D+01 -0.475230D+00  0.341638D+01
      5   0.254193D+01  0.378397D+01 -0.160850D+01  0.102933D+01  0.173468D+01
      6   0.330954D+01  0.146747D+02 -0.571172D+01  0.371688D+01 -0.874971D+00
               156           157           158           159           160 
      1   0.141781D+01 -0.146070D+01 -0.775681D+01 -0.553418D+01  0.125551D+01
      2  -0.153329D+01  0.220545D+01  0.938119D+01  0.411400D+01 -0.109046D+01
      3   0.115486D+00 -0.744751D+00 -0.162438D+01  0.142018D+01 -0.165042D+00
      4   0.385091D+01  0.218784D+01  0.303290D+01  0.981831D+00  0.534008D+01
      5   0.622930D+01  0.864551D+00  0.108306D+01  0.107667D+01  0.424629D+01
      6  -0.791447D+00  0.105028D+00  0.682664D+01  0.102130D+02  0.220752D+01
               161           162           163           164           165 
      1  -0.101915D+02 -0.198881D+02 -0.175215D+01 -0.714346D+00  0.157910D+01
      2   0.703443D+01  0.113455D+01 -0.283956D+00 -0.960815D+00  0.206541D+00
      3   0.315704D+01  0.187536D+02  0.203610D+01  0.167516D+01 -0.178565D+01
      4   0.234501D+01  0.360655D+01 -0.452299D+00  0.401657D+01 -0.125634D+01
      5   0.337225D+01  0.883067D+01  0.872220D+00 -0.192661D+00  0.516545D+01
      6   0.174302D+02  0.349653D+02 -0.113851D+01  0.479383D+00  0.238560D+01
               166           167           168           169           170 
      1   0.115584D+01 -0.726374D+00 -0.539219D+00  0.197491D+01  0.391575D+01
      2  -0.287987D+01 -0.794388D+00 -0.386970D+01 -0.277647D+01 -0.378493D+01
      3   0.172403D+01  0.152076D+01  0.440892D+01  0.801556D+00 -0.130821D+00
      4   0.306428D+01 -0.140904D+01  0.139572D+01 -0.293038D+01  0.268002D+01
      5   0.183122D+00  0.118310D+01  0.315588D+01  0.506679D+01 -0.823185D+00
      6   0.406013D+00 -0.112219D+01  0.259788D+01 -0.194273D+01  0.521717D+01
               171           172           173           174           175 
      1  -0.153859D+02  0.112173D+02 -0.219286D+01 -0.258528D+00  0.572138D+00
      2  -0.153495D+02  0.479385D+01 -0.111752D+02  0.600097D+00 -0.125772D+02
      3   0.307354D+02 -0.160112D+02  0.133680D+02 -0.341570D+00  0.120051D+02
      4  -0.290575D+01 -0.279083D+02  0.263084D+02 -0.149030D+01  0.249922D+02
      5   0.121964D+02  0.252169D+01 -0.238276D+01  0.434443D+01 -0.215299D+01
      6  -0.191330D+02 -0.827206D+00  0.193968D+01 -0.320168D+01  0.229417D+01
               176           177           178           179           180 
      1  -0.709052D+01  0.504373D+00 -0.151440D+01 -0.234112D+00 -0.197544D+01
      2   0.264753D+02 -0.486012D+00  0.109195D+00  0.184832D+01  0.127170D+01
      3  -0.193848D+02 -0.183609D-01  0.140521D+01 -0.161420D+01  0.703739D+00
      4  -0.289771D+02  0.139582D+01  0.229380D+01 -0.201354D+01 -0.510435D+01
      5   0.141065D+01 -0.265454D+01  0.362160D+01 -0.381816D+01  0.597902D+00
      6  -0.218187D+01  0.481046D+01 -0.444572D+01  0.584993D+01 -0.107826D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x         -0.635029D+00     -0.161408D+01     -0.538400D+01
   y          0.103621D+01      0.263379D+01      0.878537D+01
   z          0.465101D+00      0.118217D+01      0.394329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.871451D+02      0.129136D+02      0.143683D+02
   yx         0.737019D+00      0.109215D+00      0.121518D+00
   yy         0.856738D+02      0.126956D+02      0.141257D+02
   zx        -0.169420D+01     -0.251055D+00     -0.279336D+00
   zy         0.474104D+00      0.702549D-01      0.781691D-01
   zz         0.718484D+02      0.106468D+02      0.118462D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.880154D+02      0.130425D+02      0.145118D+02
   aniso      0.169110D+02      0.250594D+01      0.278824D+01
   xx         0.942322D+02      0.139638D+02      0.155368D+02
   yx         0.631868D+00      0.936332D-01      0.104181D+00
   yy         0.927187D+02      0.137395D+02      0.152872D+02
   zx        -0.214402D+01     -0.317711D+00     -0.353501D+00
   zy         0.569030D+00      0.843216D-01      0.938204D-01
   zz         0.770955D+02      0.114244D+02      0.127113D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.68190103          1.88501620         -0.55401912
     6          1.37098683         -0.18686918         -2.05747469
     6          0.25122016         -2.28063798         -0.47487676
     6         -1.63922935         -1.27838855          1.53051943
     8          1.25092154         -0.13710179         -4.33914099
     1          2.18241002          3.68354961         -1.43514127
     1          4.71897195          1.65056613         -0.82270585
     1          1.83495988         -3.19691212          0.49271277
     1         -0.62332898         -3.67573582         -1.70938844
     1         -1.56407535         -2.58405779          3.13002879
     6         -4.33594566         -1.27066845          0.50429118
     1         -4.46874226         -0.09896820         -1.19123260
     1         -5.65351164         -0.51319252          1.90091934
     1         -4.95652611         -3.17401542          0.00748489
     6          1.95595982          1.85488962          2.24875860
     6         -0.87976723          1.37005223          2.49220987
     1          2.47142246          3.64706536          3.12965759
     1          3.00940734          0.38761082          3.25452885
     1         -1.87598856          2.80397015          1.37873022
     1         -1.51312664          1.60657425          4.44109295

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130127D+01      0.330751D+01      0.110327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.824986D+02      0.122250D+02      0.136022D+02
   yx         0.699503D+01      0.103656D+01      0.115332D+01
   yy         0.776227D+02      0.115025D+02      0.127982D+02
   zx        -0.248562D+01     -0.368331D+00     -0.409823D+00
   zy         0.266368D+01      0.394716D+00      0.439181D+00
   zz         0.845461D+02      0.125284D+02      0.139398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.880154D+02      0.130425D+02      0.145118D+02
   aniso      0.169110D+02      0.250594D+01      0.278824D+01
   xx         0.887589D+02      0.131527D+02      0.146344D+02
   yx         0.788435D+01      0.116834D+01      0.129995D+01
   yy         0.836234D+02      0.123917D+02      0.137876D+02
   zx        -0.284937D+01     -0.422233D+00     -0.469798D+00
   zy         0.290989D+01      0.431202D+00      0.479777D+00
   zz         0.916640D+02      0.135832D+02      0.151134D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-37\Freq\RB3LYP\Gen\C7H12O1\PIERPA\08-Jul-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
 MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculati
 ons.\\0,1\C,1.598849,0.704366,-0.206529\C,1.101228,-0.711991,0.043642\
 C,-0.11325,-0.80514,0.936088\C,-1.304166,0.036131,0.404859\O,1.645599,
 -1.67761,-0.439886\H,1.880909,0.764552,-1.26005\H,2.521567,0.833636,0.
 367502\H,0.189114,-0.415856,1.914189\H,-0.387393,-1.851222,1.064625\H,
 -1.882232,0.353357,1.276987\C,-2.214659,-0.802663,-0.488897\H,-1.65724
 5,-1.206857,-1.337618\H,-3.035477,-0.200152,-0.884181\H,-2.645488,-1.6
 42727,0.058923\C,0.553737,1.766949,0.148811\C,-0.819914,1.303231,-0.33
 3141\H,0.822669,2.721592,-0.306662\H,0.531382,1.936615,1.229376\H,-0.7
 49828,1.08744,-1.405242\H,-1.563723,2.095209,-0.227759\\Version=ES64L-
 G16RevA.03\State=1-A\HF=-349.367165\RMSD=7.666e-09\RMSF=1.536e-05\Zero
 Point=0.1784592\Thermal=0.1864351\Dipole=-0.6350289,1.0362113,0.465101
 3\DipoleDeriv=0.0057445,-0.2483097,0.0532529,-0.1097841,-0.2434757,0.0
 309201,0.0533443,0.0486012,0.09034,0.7528807,-0.0644314,-0.3768202,-0.
 0863969,1.1321921,0.1256415,-0.5317329,0.1927253,0.3714063,-0.2755463,
 0.0596364,0.1674011,0.0434838,-0.0020079,0.0207323,0.2031047,-0.011265
 5,-0.0429236,0.2251289,-0.0162033,0.0117078,-0.0777222,0.1424478,0.044
 1847,0.0209163,0.0361444,0.1115735,-0.6293384,0.2242663,0.1643593,0.26
 64534,-0.9713537,-0.1550285,0.2595729,-0.2224729,-0.4491817,0.0544423,
 0.0347296,0.0143212,0.0130141,0.007096,-0.0095707,0.0687191,0.0070669,
 -0.0810773,-0.0654671,0.0100845,-0.055293,0.0172341,0.0238179,-0.00385
 5,-0.0954401,-0.0085496,0.0352784,-0.0142546,-0.0069356,-0.0558036,-0.
 0417343,0.0581329,-0.0737749,-0.0517065,-0.0514185,-0.0534669,0.016856
 1,-0.0335399,0.0205443,-0.0421181,-0.1061321,0.0551795,0.0114807,0.004
 4328,0.0599542,-0.0713281,0.0164608,0.0656765,0.0408393,-0.0166143,-0.
 0558462,0.0695268,-0.0423202,-0.1161034,0.0423076,-0.0250158,-0.042984
 7,-0.0144715,0.0528819,-0.0414586,-0.0231949,-0.0349476,0.0647738,-0.0
 094123,0.0352676,0.0991936,0.0024996,0.030151,-0.040162,0.0470492,-0.0
 571389,-0.0533742,-0.0810533,0.0610813,-0.0731856,0.1042621,-0.0114786
 ,0.0474691,-0.0842917,0.0216291,0.0285784,0.0152728,-0.0658636,0.01027
 29,-0.1061241,-0.0862812,0.055776,0.0438574,0.0938766,-0.0059473,0.053
 1235,0.0079537,-0.0159117,-0.0240916,0.0951018,-0.0229718,-0.00154,0.0
 293575,0.145734,0.0506744,-0.0458293,-0.034517,-0.0311623,0.0606029,0.
 0284976,-0.0207199,-0.0089794,0.1104641,0.0010647,-0.0531823,0.0171665
 ,-0.0522861,-0.1528798,0.0487531,0.0245124,0.0926553,0.0339921,-0.0006
 948,0.015059,0.0108552,0.018461,0.049349,-0.0113682,-0.0065977,-0.0663
 455,-0.1590696,0.0245023,-0.0140989,0.0224251,-0.0128659,0.0184294,-0.
 0636816,-0.001857,-0.0149755,-0.1460364,-0.0949032,0.1088708,-0.002660
 6,0.0925097,-0.0799795,0.0205634,0.0149968,-0.0080755,0.0550857\Polar=
 87.145129,0.7370194,85.6738361,-1.6942006,0.4741035,71.8484302\Quadrup
 ole=-0.3020422,-1.8567307,2.1587729,3.9292301,1.0881826,-1.5484669\PG=
 C01 [X(C7H12O1)]\NImag=0\\0.52254627,0.00032050,0.43073134,0.00045075,
 0.00462770,0.56090998,-0.10466573,-0.03684451,0.01304579,0.49505025,-0
 .02691951,-0.13466563,0.02138341,-0.16458541,0.76875284,0.01201338,0.0
 2310908,-0.09147521,-0.19522777,0.15756152,0.40266955,-0.00166004,-0.0
 0434013,0.01683939,-0.13603433,-0.02652347,0.03089399,0.42526429,-0.02
 167939,-0.00221843,0.01761687,-0.02932863,-0.09297862,0.02188156,0.069
 11828,0.59174095,0.01383682,0.00245044,0.01053619,0.03744497,0.0198559
 2,-0.11635840,-0.00159353,0.01978757,0.48740593,0.00337208,-0.00097520
 ,0.00190806,-0.02691419,0.01656364,-0.00366733,-0.12077266,0.03016145,
 -0.02289242,0.48703576,0.00081320,-0.00008501,0.00116831,0.01036250,-0
 .00060519,-0.01305531,0.02334864,-0.09563636,0.01911342,-0.00732872,0.
 45222885,-0.00090339,0.00101302,-0.00230071,0.00917594,-0.01474051,0.0
 1662023,-0.00622186,0.01419470,-0.07752615,-0.05543222,0.04165703,0.53
 638303,0.02228879,0.00174637,-0.00097208,-0.22122483,0.22347396,0.1310
 7806,-0.01403041,0.03650220,0.03278585,-0.00013236,-0.00166197,0.00407
 184,0.21776200,0.01701216,-0.05517994,-0.01966377,0.22404068,-0.501967
 36,-0.19960637,0.01977079,0.00017810,-0.01754474,-0.00197226,0.0025169
 4,-0.00109436,-0.26252715,0.55908446,-0.00003387,-0.00894392,0.0137858
 5,0.13100073,-0.19933044,-0.18045265,0.03396659,-0.03047376,0.00153197
 ,0.00127920,0.00340567,-0.00905465,-0.16576702,0.23722220,0.16510475,-
 0.05922875,-0.00168226,0.06359809,-0.00635438,-0.00495187,0.01350286,-
 0.00101076,-0.00248146,-0.00085884,0.00022940,-0.00023387,0.00016668,0
 .00033561,0.00306604,-0.00093946,0.06488483,-0.00140854,-0.04631725,0.
 01808516,-0.00790686,-0.00334116,0.03324689,-0.00224796,-0.00431089,-0
 .00154622,0.00001034,-0.00031827,0.00039471,-0.00008915,0.00210947,-0.
 00316010,0.00264172,0.05378235,0.06259898,0.01726238,-0.28954686,0.002
 95329,-0.00066721,-0.00761212,-0.00016386,0.00137179,0.00079561,-0.000
 16084,0.00000073,-0.00011258,-0.00107603,-0.00061639,0.00245114,-0.069
 99357,-0.01698435,0.31357997,-0.22379602,-0.02651809,-0.11741393,-0.01
 170066,-0.00339221,-0.00537104,0.00093127,-0.00138821,0.00062023,0.000
 52077,0.00072350,-0.00049983,0.00124155,0.00128766,0.00084619,0.007008
 20,0.00118821,0.00365259,0.24533325,-0.03176551,-0.04895414,-0.0208632
 9,-0.02662232,-0.00424438,-0.02001987,0.00130555,-0.00137175,0.0030504
 6,0.00076504,-0.00047893,-0.00021912,0.00307511,-0.00086308,0.00326716
 ,0.00284323,0.00049509,0.00176251,0.02830603,0.05264303,-0.11494058,-0
 .01640974,-0.11430216,0.00581517,0.00106476,0.00234714,-0.00074782,0.0
 0011334,-0.00147808,-0.00034210,-0.00025288,0.00027860,0.00020167,-0.0
 0103384,0.00085972,-0.02663613,-0.00467818,-0.01687939,0.12587087,0.02
 014757,0.12426357,-0.00153074,-0.00062419,-0.00310128,0.01014849,0.012
 11649,0.02593425,-0.05564499,-0.02880622,-0.05232698,-0.01026563,-0.00
 792182,-0.02435722,-0.00659605,0.00035892,-0.00080599,0.00040785,0.000
 71037,-0.00036523,-0.00029182,-0.00073063,0.00037606,0.06934126,-0.000
 38345,-0.00009336,-0.00072459,0.00376588,-0.00117909,0.00048684,-0.030
 82036,-0.07948801,-0.08071997,0.00721134,0.00438647,0.01623483,0.00039
 878,0.00175865,-0.00008195,0.00019833,0.00013038,-0.00014186,0.0000518
 9,-0.00024257,0.00011558,0.02553996,0.08470434,0.00151753,0.00036963,0
 .00198267,-0.00701364,-0.01104326,-0.02073017,-0.05973298,-0.08048911,
 -0.24887539,-0.00272750,-0.00383090,-0.00920123,0.00446844,0.00101123,
 -0.00014783,-0.00019505,-0.00049213,0.00028278,0.00039106,0.00061051,-
 0.00022616,0.06407878,0.09107625,0.26965791,-0.00243491,0.00102711,0.0
 0443809,-0.00840225,-0.03029944,0.00187650,-0.06479787,-0.06427075,0.0
 0756862,0.00641266,0.02312459,-0.00405230,0.00290085,0.00230939,-0.002
 56593,-0.00065306,-0.00127475,0.00035675,-0.00010731,-0.00010372,-0.00
 005581,-0.00245979,-0.00688906,0.00088490,0.07239363,0.00012033,0.0009
 8843,0.00023360,-0.00010171,-0.00434989,-0.00032402,-0.06781969,-0.294
 01880,0.02833264,-0.00375389,-0.01407794,0.00311964,0.00088320,0.00260
 800,-0.00023123,-0.00013018,-0.00011529,0.00002326,-0.00011082,-0.0000
 1776,-0.00000671,-0.00287422,-0.00958892,0.00095760,0.07186569,0.31690
 944,0.00325698,-0.00077947,-0.00108997,0.00722885,0.02327528,-0.003038
 00,0.00746939,0.02408580,-0.05045916,0.00196582,0.01107054,-0.00324396
 ,-0.00345932,-0.00118252,0.00115827,0.00037641,0.00053223,-0.00011372,
 0.00038575,0.00049806,-0.00023408,-0.00792795,-0.02787006,0.00424303,-
 0.00712734,-0.03122378,0.05224100,0.00060771,-0.00004799,0.00036514,-0
 .00014053,0.00385690,-0.00454429,-0.02073569,0.00855402,0.01593607,-0.
 11755865,0.03743765,0.10796482,-0.00151771,0.00059362,0.00268405,0.000
 03509,-0.00016815,0.00003404,0.00006591,0.00006577,-0.00002425,0.00116
 479,-0.00041864,0.00044934,-0.00035648,0.00043067,-0.00009280,0.131875
 23,0.00013809,0.00019327,-0.00029367,-0.00017174,-0.00259136,0.0031313
 1,0.01351437,-0.00468122,-0.01192526,0.03809752,-0.06819428,-0.0599659
 0,0.00093905,-0.00013409,-0.00151058,0.00011014,0.00005561,-0.00009852
 ,-0.00007100,0.00000861,-0.00003969,-0.00070475,0.00151009,0.00013738,
 -0.00004190,-0.00035479,0.00000253,-0.04206387,0.07973147,-0.00018025,
 -0.00009691,0.00013121,-0.00100702,0.00167938,-0.00094757,-0.00975240,
 0.00321159,0.00766906,0.10737813,-0.05957788,-0.20692967,-0.00077696,0
 .00047562,0.00128337,-0.00007429,-0.00001302,0.00002110,0.00003802,-0.
 00000605,0.00003249,-0.00011185,0.00023682,0.00203086,0.00043866,0.000
 02350,-0.00001617,-0.11106463,0.06172023,0.22832965,0.00018679,-0.0001
 6394,-0.00004638,0.00080037,-0.00101533,-0.00267551,-0.02194564,-0.010
 79735,-0.01885028,-0.11168730,-0.03140456,-0.03480532,0.00003386,0.000
 54737,0.00068559,-0.00000628,-0.00011993,0.00009034,0.00003937,0.00006
 243,0.00005794,-0.00344124,0.00109031,-0.00117028,0.00158582,-0.001845
 33,0.00031027,0.01039614,0.00898702,0.00918721,0.53110181,0.00037861,-
 0.00020790,-0.00017491,-0.00202292,-0.00022740,0.00397702,0.01164255,0
 .00951707,0.01014442,-0.03443584,-0.10992902,-0.03743960,0.00077888,-0
 .00066050,-0.00148687,-0.00000545,0.00018317,-0.00007074,-0.00011959,0
 .00007320,-0.00002376,0.00397190,-0.00139563,0.00199231,0.00127176,0.0
 0103974,0.00074409,-0.00761230,-0.00737286,-0.00754987,-0.03281549,0.5
 4166489,-0.00056394,-0.00003554,0.00022210,0.00051788,0.00121496,0.000
 77723,-0.01137964,-0.00246486,-0.00963804,-0.03523264,-0.03758408,-0.1
 1659033,-0.00021016,-0.00084318,-0.00084748,0.00007417,0.00003897,-0.0
 0006234,0.00009274,-0.00008567,0.00000763,-0.00161630,0.00073729,0.000
 14343,-0.00021240,-0.00097863,0.00062323,-0.01763747,-0.01744915,-0.01
 736169,-0.03641200,-0.03926249,0.52972213,-0.00000007,-0.00003639,0.00
 001541,-0.00025573,-0.00042722,0.00011736,0.00155461,0.00022243,0.0003
 2778,0.01020680,-0.00873632,-0.01678435,-0.00004062,0.00010530,0.00000
 490,-0.00001268,0.00002946,-0.00001714,-0.00001013,0.00001098,0.000001
 45,0.00022494,-0.00002130,0.00021278,0.00005500,0.00018573,0.00008810,
 -0.00167716,-0.00294120,-0.00302656,-0.11807055,0.04961030,0.10505297,
 0.12652552,-0.00005194,-0.00009204,0.00000659,-0.00011073,0.00036681,-
 0.00047858,0.00005240,0.00049539,0.00086710,0.00932441,-0.00824331,-0.
 01466639,-0.00018347,-0.00002986,0.00028851,-0.00006025,-0.00003424,0.
 00003083,0.00000551,0.00001233,0.00003026,0.00011273,-0.00011750,0.000
 13342,-0.00021441,0.00013442,0.00012698,-0.00252464,-0.00147670,-0.001
 95817,0.04864624,-0.08141537,-0.07138734,-0.05177803,0.08616735,-0.000
 00271,-0.00000739,-0.00003439,-0.00015182,-0.00066019,-0.00082890,0.00
 040318,-0.00000927,0.00112542,0.01004522,-0.00852272,-0.01816384,-0.00
 007299,0.00064689,0.00064740,-0.00004289,-0.00001057,0.00001965,-0.000
 01346,0.00004559,0.00000875,0.00018508,0.00015578,0.00024917,-0.000142
 80,0.00036873,-0.00027802,-0.00326316,-0.00240667,-0.00129004,0.103609
 00,-0.07146866,-0.19943940,-0.11270710,0.08206257,0.21870666,-0.000007
 50,0.00004373,0.00011266,0.00112891,0.00039990,-0.00084750,-0.00105501
 ,-0.00306715,-0.00271976,-0.01539579,0.01096344,-0.00575810,-0.0003371
 1,-0.00003853,0.00029179,-0.00000360,-0.00003878,0.00002574,0.00006465
 ,-0.00007862,-0.00000862,-0.00119834,0.00044828,-0.00040553,0.00018983
 ,-0.00017268,0.00018949,0.00082005,-0.00018321,-0.00001960,-0.19150874
 ,0.10794486,-0.06777674,-0.01261204,0.00901657,-0.00609856,0.20834859,
 -0.00003075,-0.00000861,-0.00005712,0.00025029,-0.00002137,-0.00078966
 ,-0.00244878,-0.00193065,-0.00157097,-0.01502873,0.01022816,-0.0060922
 6,-0.00002752,0.00024024,0.00038316,0.00001340,-0.00000831,0.00000786,
 0.00002188,0.00000237,0.00003700,-0.00060645,0.00045090,-0.00041037,-0
 .00006319,0.00034415,-0.00022796,0.00065028,0.00073736,0.00064427,0.10
 930628,-0.12964284,0.05209107,0.00764228,-0.00701440,0.00427257,-0.118
 48807,0.13872891,0.00000193,0.00002335,0.00014922,0.00057236,-0.000275
 80,-0.00146639,-0.00263464,-0.00238308,-0.00131666,-0.01468428,0.01159
 131,-0.00719332,-0.00033917,0.00043644,0.00063909,-0.00001713,-0.00006
 937,0.00003022,0.00004349,-0.00001113,-0.00001691,-0.00097239,0.000223
 10,-0.00021010,0.00024505,-0.00039528,0.00006998,0.00058595,0.00056354
 ,0.00018706,-0.06791024,0.05132247,-0.07948157,0.01889194,-0.01427554,
 0.01016850,0.07795929,-0.05558165,0.08408721,0.00028364,-0.00003186,-0
 .00015511,-0.00015897,-0.00004112,0.00031167,0.00082688,-0.00131762,0.
 00102813,-0.00849525,-0.01387334,0.01059747,0.00013071,0.00015896,-0.0
 0007668,0.00002761,0.00007701,-0.00001832,-0.00003045,0.00002830,-0.00
 001986,0.00024496,0.00023085,0.00001606,-0.00042730,0.00075577,-0.0003
 1994,0.00089020,0.00055572,-0.00014723,-0.08686913,-0.07620285,0.05146
 121,-0.00699359,-0.01321056,0.00825223,0.01082214,0.01864677,-0.012739
 76,0.09181036,0.00022279,0.00003477,-0.00022539,-0.00008631,-0.0002711
 5,0.00017156,0.00112302,0.00022762,0.00010556,-0.00627531,-0.01463309,
 0.00981751,0.00005419,0.00024955,0.00007280,0.00001428,0.00004974,0.00
 000440,-0.00006998,0.00005494,0.00000975,0.00009584,0.00014310,-0.0000
 5480,-0.00019797,0.00075136,-0.00013467,0.00062733,0.00028734,-0.00011
 947,-0.07730286,-0.19881610,0.10193581,0.00469224,0.01018909,-0.005991
 37,-0.00696178,-0.01355585,0.00881818,0.08713647,0.21652343,0.00010700
 ,-0.00015510,-0.00006523,-0.00008399,-0.00001425,-0.00007182,0.0006038
 1,-0.00060803,0.00067175,-0.00877693,-0.01629319,0.00997020,0.00006966
 ,-0.00003935,0.00006840,-0.00003793,-0.00001828,0.00001453,-0.00000291
 ,0.00002453,0.00001193,0.00018561,-0.00012473,0.00005625,0.00018119,0.
 00018568,0.00014339,0.00062492,0.00045909,0.00117968,0.05298087,0.1035
 6529,-0.11679992,0.00849799,0.01942217,-0.01260654,0.00446325,0.007464
 68,-0.00630580,-0.05542236,-0.11155673,0.12475886,-0.12320115,0.045250
 42,0.02051619,0.01226581,0.00317120,-0.00517369,-0.00027602,0.00044763
 ,0.00020833,-0.01120277,-0.01074064,-0.00096674,-0.00161076,-0.0069268
 5,-0.00027335,-0.00555842,0.00640736,0.00086343,-0.01734129,0.02028800
 ,0.00886069,0.00018984,-0.00047510,-0.00022063,-0.00062688,0.00023584,
 -0.00015099,0.00009862,0.00089576,-0.00026591,-0.00015711,-0.00012702,
 0.00072850,-0.00003996,-0.00020328,0.00005125,-0.00002673,0.00011004,0
 .00001211,0.00016727,0.00029084,-0.00044584,0.43609082,0.04508096,-0.1
 2706883,-0.01573925,0.02361896,-0.02514772,-0.00761564,-0.00130917,0.0
 0005241,0.00000533,-0.02562062,-0.01307728,-0.01043520,-0.00262158,-0.
 00704125,0.00033989,-0.00107359,-0.00083116,-0.00107595,-0.00351691,0.
 00485751,0.00103167,-0.00026455,-0.00058926,-0.00036665,0.00038572,0.0
 0056679,-0.00093960,0.00004456,0.00030008,0.00048285,-0.00156203,-0.00
 402579,0.00384908,0.00012130,0.00014576,0.00002072,-0.00008334,0.00022
 424,-0.00004726,-0.00106697,-0.00107986,-0.00098431,0.03400860,0.55235
 897,0.01987015,-0.01452903,-0.08872872,-0.00799246,0.00020003,0.000317
 31,0.00071253,0.00089154,0.00130931,0.01388269,0.00283792,0.00725973,0
 .00130129,0.00311253,0.00296116,0.02054417,-0.02432700,-0.00602058,-0.
 01022118,0.01269209,0.00369745,0.00005230,0.00055489,-0.00071634,-0.00
 005295,-0.00013875,-0.00030164,0.00061437,0.00080129,-0.00022257,0.000
 69908,0.00194094,-0.00195378,-0.00024369,0.00028882,0.00022833,0.00015
 517,-0.00013851,-0.00018335,0.00050603,0.00075425,0.00090075,-0.015750
 75,-0.02795248,0.57606573,-0.03314678,0.00015949,-0.00920048,0.0020932
 9,0.00085612,-0.00044810,0.00879003,0.01950053,-0.01048186,-0.08563644
 ,-0.01689025,0.01226850,-0.00024829,-0.00159548,-0.00020490,0.00124114
 ,-0.00128028,-0.00019252,-0.00213598,0.00279309,0.00128294,-0.00055311
 ,0.00038371,-0.00069878,-0.00382321,0.00256392,-0.00248947,-0.00490951
 ,-0.01425200,0.00807053,-0.01126916,-0.02115434,0.01059440,0.00099774,
 0.00137249,0.00001671,0.00107863,-0.00028621,0.00078479,-0.00167454,-0
 .00315376,-0.00255448,-0.15826483,-0.02570240,-0.02919733,0.51047844,0
 .02233112,0.00697456,0.00846218,0.00200809,0.00016726,0.00027300,-0.00
 058239,-0.02261618,0.00961140,-0.01903466,-0.12913823,0.03497553,-0.00
 055517,0.00021057,0.00047850,0.00013546,-0.00012906,0.00034221,0.00437
 970,-0.00383616,-0.00085061,-0.00024813,0.00046312,-0.00020287,0.00200
 698,-0.00022339,0.00117256,0.00261989,0.00390951,-0.00224309,-0.011893
 91,-0.01983752,0.00707726,0.00092388,0.00094429,0.00159381,0.00092695,
 0.00114669,0.00065409,-0.00137994,-0.00032277,-0.00123290,-0.02880215,
 -0.08830051,-0.01070290,-0.07494181,0.50288639,0.00368211,0.00363240,0
 .00235220,0.00009145,-0.00014191,0.00285095,0.00049355,0.00939172,-0.0
 0373871,0.01607099,0.03558557,-0.10236511,-0.00010440,-0.00039226,-0.0
 0104268,0.00143761,-0.00011736,0.00035572,0.00138237,-0.00156422,-0.00
 010916,0.00014580,-0.00026052,0.00014652,-0.00077181,-0.00064403,0.000
 06956,0.00894188,0.02478353,-0.01461877,-0.00378074,-0.01380824,0.0094
 5785,-0.00084206,-0.00167954,0.00042983,-0.00013835,0.00000596,0.00050
 734,-0.00262546,-0.00322038,-0.00246927,-0.03182681,-0.00888289,-0.093
 33081,-0.01032789,0.03638679,0.54002817,0.00620834,0.02264302,-0.01027
 585,-0.00490832,-0.00013017,0.00146417,0.00018006,0.00037719,-0.000390
 28,-0.00462312,-0.00046220,-0.00440735,0.00073029,0.00274578,0.0004017
 1,0.00123474,-0.00067496,-0.00006340,0.00021064,-0.00059528,-0.0004315
 2,-0.00001228,0.00006933,0.00003204,0.00009924,-0.00003199,0.00002559,
 -0.00001181,-0.00005288,0.00022756,-0.00035698,-0.00133211,0.00135018,
 0.00003068,-0.00001748,-0.00008945,0.00000057,0.00008725,0.00002787,-0
 .00039538,-0.00045712,-0.00039350,-0.06191082,-0.05520102,0.02660380,-
 0.00829162,-0.02698399,0.01515770,0.07013418,-0.00478791,-0.02092452,0
 .00898367,0.00482222,0.00143352,-0.00131839,-0.00017563,0.00083145,-0.
 00039777,-0.00125279,0.00074095,-0.00127118,-0.00047854,-0.00275083,-0
 .00039771,-0.00050833,0.00106670,-0.00050103,0.00025029,0.00006915,0.0
 0019994,-0.00003619,0.00003357,0.00004382,0.00002580,-0.00000627,-0.00
 004481,-0.00025605,-0.00011399,0.00010399,-0.00018926,-0.00021392,0.00
 051846,0.00005479,0.00000154,0.00000491,-0.00005125,0.00001073,-0.0000
 1522,-0.00010307,-0.00012188,-0.00012217,-0.05553526,-0.24262840,0.096
 47672,-0.00210078,-0.00737462,0.00369852,0.05914515,0.26453691,-0.0015
 7596,-0.00981991,0.00312354,0.00199955,-0.00060991,0.00007850,-0.00004
 189,0.00012430,-0.00072771,-0.00207415,-0.00005758,-0.00033401,-0.0003
 4886,-0.00094950,-0.00016189,-0.00045171,-0.00022581,0.00098619,-0.000
 11394,0.00047767,-0.00008267,0.00020028,-0.00002372,0.00043615,-0.0000
 1548,-0.00001887,0.00025623,-0.00031673,-0.00029393,0.00011042,-0.0002
 0025,-0.00028033,0.00029391,0.00004501,0.00002557,0.00001421,0.0000124
 9,0.00001061,0.00002760,-0.00009841,-0.00013923,-0.00006606,0.02693665
 ,0.09875439,-0.09701009,-0.00304757,-0.01096862,0.00513695,-0.03015934
 ,-0.10454024,0.10164826,-0.00329827,0.00325889,0.02451905,-0.00026483,
 -0.00071791,0.00034830,0.00035438,-0.00007584,0.00025232,0.00155915,0.
 00079325,-0.00027433,0.00012474,0.00042099,-0.00036912,-0.00242400,0.0
 0421298,0.00093200,0.00091760,-0.00082605,0.00012215,0.00030568,-0.000
 31183,-0.00003168,0.00000922,0.00003267,-0.00003883,-0.00026937,-0.000
 01760,0.00040878,-0.00007020,0.00011580,0.00000498,-0.00003460,0.00017
 150,0.00012213,0.00013875,-0.00002028,-0.00002000,0.00000039,-0.000041
 42,0.00017447,-0.04712359,0.00022824,0.00521256,-0.00039361,-0.0052584
 3,-0.03251325,-0.00038620,0.00123198,0.00791774,0.05537856,0.00151827,
 -0.00320337,-0.02298433,0.00048744,0.00075441,-0.00128910,-0.00019749,
 -0.00072950,-0.00003549,0.00043839,0.00040767,-0.00061247,-0.00035512,
 -0.00038596,0.00058700,0.00241264,-0.00277932,-0.00083175,-0.00050355,
 0.00136019,0.00047412,-0.00013887,-0.00100456,0.00047811,0.00003944,0.
 00011435,0.00027627,-0.00014543,-0.00002807,0.00006241,0.00002764,-0.0
 0003362,0.00000280,-0.00001828,0.00006994,0.00008444,0.00009070,0.0000
 1362,0.00003549,-0.00000912,-0.00001858,0.00006177,0.00066027,-0.05519
 862,-0.03337794,-0.00063365,-0.00194832,-0.01040114,-0.00016318,0.0046
 2313,0.02832092,-0.00165216,0.05761475,0.00099379,-0.00083674,-0.00662
 588,0.00095056,0.00069447,-0.00051138,-0.00018569,0.00020115,-0.000404
 83,0.00000950,0.00074632,0.00039117,-0.00037382,-0.00043168,0.00021035
 ,0.00081651,-0.00112635,0.00128142,0.00045246,-0.00008919,0.00102550,0
 .00033073,0.00040105,0.00072825,0.00001329,0.00003995,0.00038903,-0.00
 038892,-0.00058737,0.00017494,-0.00008595,-0.00002931,0.00022071,0.000
 09377,0.00013894,0.00002299,0.00010625,0.00001107,0.00002517,-0.000057
 60,-0.00008958,0.00003621,0.00620018,-0.03572640,-0.29295766,-0.001337
 67,-0.00201984,-0.01128249,0.00047222,-0.00102479,-0.01458545,-0.00521
 029,0.03966773,0.32073801,0.00202774,-0.00039951,-0.00084148,0.0000421
 9,0.00035511,0.00015321,0.00002648,-0.00001136,-0.00032140,-0.00330722
 ,0.00033864,0.01071217,0.00002330,0.00001533,-0.00012314,-0.00029083,0
 .00004019,0.00045589,0.00043225,-0.00026208,0.00018936,-0.00000144,-0.
 00012660,0.00009635,0.00001255,-0.00000912,0.00008929,-0.00015154,-0.0
 0255033,0.00113716,0.00068952,-0.00010446,0.00105770,0.00017506,-0.000
 28976,-0.00020727,-0.00034428,0.00012692,0.00021074,-0.00005241,0.0001
 2812,-0.00023607,-0.00158845,-0.00703943,-0.03222580,-0.04835528,0.006
 92590,0.01711565,0.00114161,0.00019917,0.00062466,-0.00556826,-0.00192
 873,-0.00233453,0.05641313,0.00113208,0.00024907,0.00116947,-0.0001838
 6,0.00005745,0.00027835,-0.00063453,-0.00008607,-0.00045859,-0.0047500
 1,0.00325095,0.02677208,0.00027413,-0.00000018,-0.00021642,-0.00024550
 ,0.00028983,0.00014010,0.00011346,-0.00004816,0.00004871,-0.00004670,0
 .00016558,-0.00009292,0.00024966,-0.00007445,0.00001867,-0.00161045,-0
 .00344787,0.00272031,-0.00018580,0.00149780,0.00182534,0.00037198,-0.0
 0031964,-0.00038454,-0.00004539,0.00008041,-0.00015735,0.00024464,0.00
 024958,-0.00003004,-0.00020635,-0.00264550,-0.01158470,0.00619309,-0.0
 5909957,-0.05021957,0.00039799,-0.00005041,-0.00007880,-0.00222363,0.0
 0017053,-0.00016684,-0.00009840,0.06500424,0.00109151,-0.00021543,0.00
 096231,0.00024703,0.00055239,-0.00126826,0.00011844,0.00021266,0.00009
 104,0.00411272,-0.00210600,-0.01690377,-0.00029750,0.00032404,0.000616
 73,-0.00079823,0.00036520,0.00031464,0.00011518,0.00002750,0.00039671,
 0.00005236,-0.00013996,0.00015197,-0.00021328,0.00016168,-0.00008306,-
 0.00005176,0.00288759,-0.00074260,-0.00173779,-0.00175298,0.00115031,0
 .00030796,0.00089780,0.00084332,0.00051959,0.00007065,0.00013014,-0.00
 039277,-0.00020420,0.00050931,-0.00150197,-0.00332777,-0.01239009,0.01
 731452,-0.04880793,-0.28164906,-0.00025153,-0.00032057,0.00048760,-0.0
 0205776,-0.00098777,0.00090972,-0.01758003,0.05380056,0.30997178,-0.00
 455140,-0.00278544,-0.00380204,-0.00050455,-0.00178965,0.00026149,0.00
 003544,-0.00165975,0.00042622,0.00665475,-0.00865174,-0.00049441,0.000
 16643,0.00062728,-0.00000130,0.00013829,-0.00010828,0.00008788,-0.0013
 5181,0.00144069,0.00042841,-0.00003239,0.00005767,0.00004880,0.0004302
 8,-0.00022418,0.00022070,0.00137470,-0.00018720,-0.00045934,0.00054866
 ,0.00021771,0.00010656,-0.00002324,-0.00005730,0.00010741,-0.00010299,
 0.00014459,-0.00001793,-0.00010714,0.00016137,0.00006522,-0.01988358,0
 .02157327,0.00553003,-0.16597691,0.12742262,0.01841166,0.00092618,-0.0
 0025434,0.00070791,0.00104447,0.00007080,-0.00046480,-0.00132412,0.001
 25359,0.00100330,0.18253893,-0.00204110,-0.00015240,-0.00101067,-0.001
 39104,0.00005801,0.00037981,-0.00277599,-0.00297651,0.00087476,0.01785
 591,-0.01934309,-0.00164205,0.00037381,0.00005706,-0.00021193,-0.00006
 249,0.00002261,0.00004174,-0.00063775,0.00048050,0.00002273,0.00009651
 ,-0.00004730,0.00017274,0.00104906,-0.00062917,0.00059985,-0.00003318,
 0.00166187,0.00020351,0.00062853,-0.00019741,0.00079989,-0.00001193,0.
 00021615,0.00020537,-0.00062563,-0.00002575,-0.00045629,-0.00059804,0.
 00005873,-0.00000414,-0.00874932,0.00912844,0.00220029,0.12816851,-0.1
 8387605,-0.02215242,0.00063666,0.00083719,0.00029301,0.00067882,0.0002
 0131,0.00022741,0.00469038,-0.00524358,-0.00143748,-0.13725172,0.19976
 937,-0.00122023,-0.00065884,0.00001387,0.00043314,0.00000138,-0.000900
 05,0.00095347,0.00334351,-0.00061312,-0.01066191,0.01410372,-0.0009836
 3,-0.00017850,0.00016901,0.00038898,-0.00047129,0.00010559,0.00021462,
 -0.00025466,0.00025489,0.00039913,0.00004393,-0.00013505,-0.00000178,-
 0.00079294,0.00051501,-0.00033594,-0.00081657,0.00008426,0.00097923,0.
 00005446,-0.00033880,-0.00044398,-0.00003651,0.00012598,0.00017690,-0.
 00006299,-0.00013040,0.00015256,-0.00009931,0.00004599,0.00006337,-0.0
 0780064,0.00860947,0.00107585,0.01984863,-0.02399858,-0.05072903,0.000
 69936,-0.00007615,0.00036832,0.00050079,0.00046895,0.00021419,0.022027
 56,-0.02338380,-0.00349873,-0.02216578,0.02089386,0.05345925\\0.000016
 84,-0.00000590,-0.00000487,0.00000004,-0.00000140,0.00001088,-0.000000
 25,0.00000256,-0.00000553,0.00003623,0.00005904,0.00001693,-0.00000069
 ,-0.00000005,-0.00000131,0.00000004,-0.00000065,0.00000108,-0.00000004
 ,-0.00000117,-0.00000008,-0.00000027,0.00000251,-0.00000881,0.00000033
 ,0.00000016,-0.00000249,0.00000244,-0.00000057,-0.00000189,-0.00000031
 ,-0.00000383,0.00000279,-0.00000458,-0.00000095,-0.00000370,-0.0000064
 0,-0.00000342,-0.00000186,-0.00000260,-0.00000036,-0.00000284,0.000001
 61,0.00002068,-0.00001230,-0.00004750,-0.00007235,-0.00000120,0.000000
 49,-0.00000074,0.00000076,0.00000681,0.00001046,0.00000643,-0.00000266
 ,-0.00000378,0.00000685,0.00000047,-0.00000024,0.00000115\\\@


 A true friend is someone who is there for
 you when he'd rather be anywhere else.
                               -- Len Wein
 Job cpu time:       0 days  3 hours 33 minutes  6.4 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 21.1 seconds.
 File lengths (MBytes):  RWF=    250 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:23:05 2021.
